1-(2-methylphenyl)-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methylphenyl)-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(o-tolyl)-4-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methylphenyl)-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(o-tolyl)-4-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine Formula: C26H34N5+ MolecularWeight: 416.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C26H33N5/c1-22-8-2-3-11-25(22)30-18-16-29(17-19-30)23-9-6-14-28(20-23)21-24-10-7-15-31(24)26-12-4-5-13-27-26/h2-5,7-8,10-13,15,23H,6,9,14,16-21H2,1H3/p+1/t23-/m0/s1