1-(2-methylphenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(o-tolyl)-4-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-(2-pyridinylmethyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(o-tolyl)-4-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]piperazin-4-ium Formula: C22H31N4+ MolecularWeight: 351.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H30N4/c1-19-7-2-3-10-22(19)26-15-13-25(14-16-26)21-9-6-12-24(18-21)17-20-8-4-5-11-23-20/h2-5,7-8,10-11,21H,6,9,12-18H2,1H3/p+1/t21-/m0/s1