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

Systemtic Name: 1-(3-chlorophenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Formula: C17H26ClN2+ MolecularWeight: 293.85474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2/c1-14-4-2-6-16(12-14)19-8-10-20(11-9-19)17-7-3-5-15(18)13-17/h3,5,7,13-14,16H,2,4,6,8-12H2,1H3/p+1/t14-,16+/m1/s1