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

Systemtic Name: N-cyclopentyl-2,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Openeye Name: N-cyclopentyl-2,6-dimethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide CAS Name: N-cyclopentyl-2,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: N-cyclopentyl-2,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Traditional Name: N-cyclopentyl-2,6-dimethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Formula: C27H39N4O+ MolecularWeight: 435.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CC(=NC(=N4)C)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CC(=NC(=N4)C)C

InChI

InChI=1S/C27H38N4O/c1-20-8-4-5-9-24(20)14-17-30-15-12-23(13-16-30)19-31(25-10-6-7-11-25)27(32)26-18-21(2)28-22(3)29-26/h4-5,8-9,18,23,25H,6-7,10-17,19H2,1-3H3/p+1