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

Systemtic Name: 2-azanyl-N-cyclopentyl-6-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Openeye Name: 2-amino-N-cyclopentyl-6-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide CAS Name: 2-amino-N-cyclopentyl-6-methyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-cyclopentyl-6-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Traditional Name: 2-amino-N-cyclopentyl-6-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrimidine-4-carboxamide Formula: C26H38N5O+ MolecularWeight: 436.61282

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O/c1-19-7-3-4-8-22(19)13-16-30-14-11-21(12-15-30)18-31(23-9-5-6-10-23)25(32)24-17-20(2)28-26(27)29-24/h3-4,7-8,17,21,23H,5-6,9-16,18H2,1-2H3,(H2,27,28,29)/p+1