N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-homoveratryl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O3/c1-18-6-4-5-7-20(18)26-14-12-25(13-15-26)17-23(27)24-11-10-19-8-9-21(28-2)22(16-19)29-3/h4-9,16H,10-15,17H2,1-3H3,(H,24,27)/p+1