N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O/c1-17-7-5-6-10-19(17)21-20(24)16-23-13-11-22(12-14-23)15-18-8-3-2-4-9-18/h2-4,8-9,17,19H,5-7,10-16H2,1H3,(H,21,24)/p+2/t17-,19-/m0/s1