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

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2/c1-16-7-5-6-10-18(16)21-19(24)15-22-11-13-23(14-12-22)20(25)17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3,(H,21,24)/p+1/t16-,18-/m0/s1