4-(7,8-dimethoxy-3-oxidanidyl-1,2-dihydro-3-benzazepin-3-ium-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-butan-1-amine

Systemtic Name: 4-(7,8-dimethoxy-3-oxidanidyl-1,2-dihydro-3-benzazepin-3-ium-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-butan-1-amine Openeye Name: 4-(7,8-dimethoxy-3-oxido-1,2-dihydro-3-benzazepin-3-ium-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-butan-1-amine CAS Name: 4-(7,8-dimethoxy-3-oxido-1,2-dihydro-3-benzazepin-3-ium-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-butanamine IUPAC Name: 4-(7,8-dimethoxy-3-oxido-1,2-dihydro-3-benzazepin-3-ium-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbutan-1-amine Traditional Name: 4-(7,8-dimethoxy-3-oxido-1,2-dihydro-3-benzazepin-3-ium-3-yl)butyl-homoveratryl-methyl-amine Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC[N+]1(CCC2=CC(=C(C=C2C=C1)OC)OC)[O-])CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCC[N+]1(CCC2=CC(=C(C=C2C=C1)OC)OC)[O-])CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H38N2O5/c1-28(14-10-21-8-9-24(31-2)25(18-21)32-3)13-6-7-15-29(30)16-11-22-19-26(33-4)27(34-5)20-23(22)12-17-29/h8-9,11,16,18-20H,6-7,10,12-15,17H2,1-5H3