4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]aniline

Systemtic Name: 4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]aniline Openeye Name: 4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]aniline CAS Name: 4-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-1-iumyl]aniline IUPAC Name: 4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-ium-1-yl]aniline Traditional Name: [4-(4-homoveratrylpiperazin-1-ium-1-yl)phenyl]amine Formula: C20H28N3O2+ MolecularWeight: 342.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC[NH+](CC2)C3=CC=C(C=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC[NH+](CC2)C3=CC=C(C=C3)N)OC

InChI

InChI=1S/C20H27N3O2/c1-24-19-8-3-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-17(21)5-7-18/h3-8,15H,9-14,21H2,1-2H3/p+1