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

Systemtic Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-(p-tolylmethyl)piperazin-1-ium CAS Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4-methylbenzyl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C19H31N2+ MolecularWeight: 287.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2/c1-16-6-8-18(9-7-16)15-20-10-12-21(13-11-20)19-5-3-4-17(2)14-19/h6-9,17,19H,3-5,10-15H2,1-2H3/p+1/t17-,19-/m0/s1