N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C20H31N3O/c1-16-7-3-5-9-18(16)21-20(24)15-22-11-13-23(14-12-22)19-10-6-4-8-17(19)2/h4,6,8,10,16,18H,3,5,7,9,11-15H2,1-2H3,(H,21,24)/p+1/t16-,18-/m0/s1