4-(azepan-1-ium-1-yl)-6,7-dimethoxy-1-(2-oxidanylidene-2-phenylazanyl-ethyl)naphthalen-2-olate

Systemtic Name: 4-(azepan-1-ium-1-yl)-6,7-dimethoxy-1-(2-oxidanylidene-2-phenylazanyl-ethyl)naphthalen-2-olate Openeye Name: 1-(2-anilino-2-oxo-ethyl)-4-(azepan-1-ium-1-yl)-6,7-dimethoxy-naphthalen-2-olate CAS Name: 1-(2-anilino-2-oxoethyl)-4-(1-azepan-1-iumyl)-6,7-dimethoxy-2-naphthalenolate IUPAC Name: 1-(2-anilino-2-oxoethyl)-4-(azepan-1-ium-1-yl)-6,7-dimethoxynaphthalen-2-olate Traditional Name: 1-(2-anilino-2-keto-ethyl)-4-(azepan-1-ium-1-yl)-6,7-dimethoxy-naphthalen-2-olate Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=C2CC(=O)NC3=CC=CC=C3)[O-])[NH+]4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=C2CC(=O)NC3=CC=CC=C3)[O-])[NH+]4CCCCCC4)OC

InChI

InChI=1S/C26H30N2O4/c1-31-24-14-19-20(15-25(24)32-2)22(28-12-8-3-4-9-13-28)17-23(29)21(19)16-26(30)27-18-10-6-5-7-11-18/h5-7,10-11,14-15,17,29H,3-4,8-9,12-13,16H2,1-2H3,(H,27,30)