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

Systemtic Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium hydrochloride Openeye Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium hydrochloride CAS Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium hydrochloride IUPAC Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium hydrochloride Traditional Name: 3-methoxy-3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium hydrochloride Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28NO2.ClH/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;1H/q+1;