1-[(1S,3R)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-(o-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-methylbenzyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C19H32N2+2 MolecularWeight: 288.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C19H30N2/c1-16-6-5-9-19(14-16)21-12-10-20(11-13-21)15-18-8-4-3-7-17(18)2/h3-4,7-8,16,19H,5-6,9-15H2,1-2H3/p+2/t16-,19+/m1/s1