3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

Systemtic Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumyl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[(1-homoveratrylpyridin-1-ium-3-yl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C28H31N2O5+ MolecularWeight: 475.55614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC)OC

InChI

InChI=1S/C28H31N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h5-8,10-11,13-16,18H,9,12,17,19H2,1-4H3/q+1