1-[(2-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(2-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(2-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(2-chlorobenzyl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C18H28ClN2+ MolecularWeight: 307.88132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H27ClN2/c1-15-5-4-7-17(13-15)21-11-9-20(10-12-21)14-16-6-2-3-8-18(16)19/h2-3,6,8,15,17H,4-5,7,9-14H2,1H3/p+1/t15-,17-/m0/s1