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

Systemtic Name: 3-(7,8-dimethoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylammonium IUPAC Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium Traditional Name: homoveratryl-[3-(4-keto-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-3-yl)propyl]-dimethyl-ammonium Formula: C27H39N2O5+ MolecularWeight: 471.60896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N2O5/c1-29(2,15-11-20-8-9-23(31-3)24(16-20)32-4)14-7-12-28-13-10-21-17-25(33-5)26(34-6)18-22(21)19-27(28)30/h8-9,16-18H,7,10-15,19H2,1-6H3/q+1