(3S)-N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-[3-(m-tolyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(3-methylphenyl)phenyl]-1-[(2-methyl-5-pyrimidinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-[3-(m-tolyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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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=C(N=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O/c1-18-6-3-7-21(12-18)22-8-4-10-24(13-22)28-25(30)23-9-5-11-29(17-23)16-20-14-26-19(2)27-15-20/h3-4,6-8,10,12-15,23H,5,9,11,16-17H2,1-2H3,(H,28,30)/p+1/t23-/m0/s1