8-(azepan-1-ylmethyl)-3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-olate; 1-azoniacycloheptane
Molecular Formula:
C
30
H
40
N
2
O
4
InChI:
InChI=1/C24H27NO4.C6H13N/c1-16-11-17(2)13-18(12-16)29-22-15-28-24-19(23(22)27)7-8-21(26)20(24)14-25-9-5-3-4-6-10-25;1-2-4-6-7-5-3-1/h7-8,11-13,15,26H,3-6,9-10,14H2,1-2H3;7H,1-6H2/fC24H26NO4.C6H14N/h26h;7H/q-1;+1
InChIKey:
InChIKey=SSDLMFHAIROMIT-WVGOGOGZCZ
SMILES:
CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCCCC4)[O-])C.C1CCC[NH2+]CC1
Names:
8-(azepan-1-ylmethyl)-3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-olate; 1-azoniacycloheptane
Registries:
PubChem CID 2790359
PubChem ID 11564075
