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

Systemtic Name: 1-(2-methylphenyl)-4-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methylphenyl)-4-[(3S)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine Formula: C27H36N5+ MolecularWeight: 430.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=CN(N=C4C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CN(N=C4C5=CC=CC=C5)C

InChI

InChI=1S/C27H35N5/c1-22-9-6-7-13-26(22)32-17-15-31(16-18-32)25-12-8-14-30(21-25)20-24-19-29(2)28-27(24)23-10-4-3-5-11-23/h3-7,9-11,13,19,25H,8,12,14-18,20-21H2,1-2H3/p+1/t25-/m0/s1