(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Openeye Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[(1-methyl-4-pyrazolyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Traditional Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=CN(N=C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=CN(N=C4)C

InChI

InChI=1S/C20H25N5/c1-15-5-3-6-17(9-15)19-11-21-23-20(19)18-7-4-8-25(14-18)13-16-10-22-24(2)12-16/h3,5-6,9-12,18H,4,7-8,13-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1