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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H25ClN2O/c1-14-4-2-7-17(12-14)20-8-10-21(11-9-20)18(22)15-5-3-6-16(19)13-15/h3,5-6,13-14,17H,2,4,7-12H2,1H3/p+1/t14-,17+/m0/s1