3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium

Systemtic Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium Openeye Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium CAS Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium IUPAC Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium Traditional Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2CC[N+]1(CCC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC1CC2=CC=CC=C2CC[N+]1(CCC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C21H28NO2/c1-17-16-20-7-5-4-6-19(20)13-15-22(17,24-3)14-12-18-8-10-21(23-2)11-9-18/h4-11,17H,12-16H2,1-3H3/q+1