(2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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