3-(7,8-dimethoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium

Systemtic Name: 3-(7,8-dimethoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium Openeye Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: homoveratryl-[3-(4-keto-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-3-yl)propyl]-methyl-ammonium Formula: C26H37N2O5+ MolecularWeight: 457.58238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H36N2O5/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29/h7-8,15-17H,6,9-14,18H2,1-5H3/p+1