N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O/c1-16-7-6-10-19(17(16)2)21-20(24)15-22-11-13-23(14-12-22)18-8-4-3-5-9-18/h3-5,8-9,16-17,19H,6-7,10-15H2,1-2H3,(H,21,24)/p+1/t16-,17+,19+/m0/s1