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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenyl)-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(4-methoxyphenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenyl)-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-keto-3-(4-methoxyphenyl)chromen-7-olate Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)[O-]

InChI

InChI=1S/C23H25NO4/c1-27-17-8-6-16(7-9-17)20-15-28-23-18(22(20)26)10-11-21(25)19(23)14-24-12-4-2-3-5-13-24/h6-11,15,25H,2-5,12-14H2,1H3