N-(2-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(o-tolyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-methylphenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(o-tolyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-18-7-5-6-10-20(18)22-21(25)17-24-15-13-23(14-16-24)12-11-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)/p+1