N-ethyl-2,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide

Systemtic Name: N-ethyl-2,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Openeye Name: N-ethyl-2,6-dimethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide CAS Name: N-ethyl-2,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: N-ethyl-2,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Traditional Name: N-ethyl-2,6-dimethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=CC(=NC(=N3)C)C

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=CC(=NC(=N3)C)C

InChI

InChI=1S/C24H34N4O/c1-5-28(24(29)23-16-19(3)25-20(4)26-23)17-21-10-13-27(14-11-21)15-12-22-9-7-6-8-18(22)2/h6-9,16,21H,5,10-15,17H2,1-4H3/p+1