2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide Openeye Name: 2,6-dimethyl-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)pyrimidine-4-carboxamide CAS Name: 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-4-pyrimidinecarboxamide IUPAC Name: 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide Traditional Name: 2,6-dimethyl-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)pyrimidine-4-carboxamide Formula: C27H34N5O+ MolecularWeight: 444.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC(=NC(=N4)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC(=NC(=N4)C)C

InChI

InChI=1S/C27H33N5O/c1-20-7-4-5-9-25(20)19-31-13-10-23(11-14-31)17-32(18-24-8-6-12-28-16-24)27(33)26-15-21(2)29-22(3)30-26/h4-9,12,15-16,23H,10-11,13-14,17-19H2,1-3H3/p+1