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

Systemtic Name: (3S)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]-phenyl-amine Formula: C23H27N4+ MolecularWeight: 359.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCCC(C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCC[C@@H](C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H26N4/c1-18-8-5-6-12-22(18)23-24-14-19(15-25-23)16-27-13-7-11-21(17-27)26-20-9-3-2-4-10-20/h2-6,8-10,12,14-15,21,26H,7,11,13,16-17H2,1H3/p+1/t21-/m0/s1