1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(3-methylbenzyl)piperazine-1,4-diium Formula: C19H30N2+2 MolecularWeight: 286.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3CCC=CC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)C[C@H]3CCC=CC3

InChI

InChI=1S/C19H28N2/c1-17-6-5-9-19(14-17)16-21-12-10-20(11-13-21)15-18-7-3-2-4-8-18/h2-3,5-6,9,14,18H,4,7-8,10-13,15-16H2,1H3/p+2/t18-/m1/s1