8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenyl)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(4-methoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-keto-3-(4-methoxyphenyl)-2-methyl-chromen-7-olate Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H27NO4/c1-16-22(17-7-9-18(28-2)10-8-17)23(27)19-11-12-21(26)20(24(19)29-16)15-25-13-5-3-4-6-14-25/h7-12,26H,3-6,13-15H2,1-2H3