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

Systemtic Name: (3S)-N-methyl-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-N-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]-N-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-1-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]-N-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-N-phenethylpiperidin-1-ium-3-amine Traditional Name: methyl-[(3S)-1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]-phenethyl-amine Formula: C26H33N4+ MolecularWeight: 401.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCCC(C3)N(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCC[C@@H](C3)N(C)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4/c1-21-9-6-7-13-25(21)26-27-17-23(18-28-26)19-30-15-8-12-24(20-30)29(2)16-14-22-10-4-3-5-11-22/h3-7,9-11,13,17-18,24H,8,12,14-16,19-20H2,1-2H3/p+1/t24-/m0/s1