5-(3-azanylpropyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-3-methyl-2,5-dihydro-1H-3-benzazepin-3-ium-4-one

Systemtic Name: 5-(3-azanylpropyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-3-methyl-2,5-dihydro-1H-3-benzazepin-3-ium-4-one Openeye Name: 5-(3-aminopropyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-3-methyl-2,5-dihydro-1H-3-benzazepin-3-ium-4-one CAS Name: 5-(3-aminopropyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-3-methyl-2,5-dihydro-1H-3-benzazepin-3-ium-4-one IUPAC Name: 5-(3-aminopropyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-3-methyl-2,5-dihydro-1H-3-benzazepin-3-ium-4-one Traditional Name: 5-(3-aminopropyl)-3-homoveratryl-7,8-dimethoxy-3-methyl-2,5-dihydro-1H-3-benzazepin-3-ium-4-one Formula: C26H37N2O5+ MolecularWeight: 457.58238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N2O5/c1-28(13-10-18-8-9-22(30-2)23(15-18)31-3)14-11-19-16-24(32-4)25(33-5)17-21(19)20(26(28)29)7-6-12-27/h8-9,15-17,20H,6-7,10-14,27H2,1-5H3/q+1