[5,8-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [5,8-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [5,8-dimethoxy-2-(3-methoxyphenyl)-3-quinolyl]methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [5,8-dimethoxy-2-(3-methoxyphenyl)-3-quinolinyl]methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [5,8-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [5,8-dimethoxy-2-(3-methoxyphenyl)-3-quinolyl]methyl-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=NC2=C(C=C1)OC)C3=CC(=CC=C3)OC)C[NH2+]C4CCCCNC4=O

Isomeric SMILES

COC1=C2C=C(C(=NC2=C(C=C1)OC)C3=CC(=CC=C3)OC)C[NH2+][C@H]4CCCCNC4=O

InChI

InChI=1S/C25H29N3O4/c1-30-18-8-6-7-16(13-18)23-17(15-27-20-9-4-5-12-26-25(20)29)14-19-21(31-2)10-11-22(32-3)24(19)28-23/h6-8,10-11,13-14,20,27H,4-5,9,12,15H2,1-3H3,(H,26,29)/p+1/t20-/m0/s1