1-[(4-chlorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(4-chlorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(4-chlorobenzyl)-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C18H29ClN2+2 MolecularWeight: 308.88926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H27ClN2/c1-15-3-2-4-18(13-15)21-11-9-20(10-12-21)14-16-5-7-17(19)8-6-16/h5-8,15,18H,2-4,9-14H2,1H3/p+2/t15-,18+/m0/s1