(3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C24H28N4O/c1-17-8-10-22(11-9-17)28-16-21(15-27-12-4-7-20(14-27)24(25)29)23(26-28)19-6-3-5-18(2)13-19/h3,5-6,8-11,13,16,20H,4,7,12,14-15H2,1-2H3,(H2,25,29)/p+1/t20-/m0/s1