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

Systemtic Name: N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O/c1-16-7-5-6-10-18(16)20-19(23)15-21-11-13-22(14-12-21)17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3,(H,20,23)/p+1/t16-,18+/m1/s1