(3-chlorophenyl)-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chlorophenyl)-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-chlorophenyl)-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chlorophenyl)-[4-[(1S,2R)-2-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-chlorophenyl)-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Formula: C18H26ClN2O+ MolecularWeight: 321.86484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O/c1-14-5-2-3-8-17(14)20-9-11-21(12-10-20)18(22)15-6-4-7-16(19)13-15/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3/p+1/t14-,17+/m1/s1