(3S)-N-[3-(3-methylphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-18-6-3-7-20(12-18)21-8-4-10-23(13-21)26-24(29)22-9-5-11-28(17-22)16-19-14-25-27(2)15-19/h3-4,6-8,10,12-15,22H,5,9,11,16-17H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1