2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-methyl-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-methyl-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-methyl-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)nicotinamide Formula: C27H33N4O+ MolecularWeight: 429.57712

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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=C(N=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-21-7-3-4-9-25(21)20-30-15-11-23(12-16-30)18-31(19-24-8-5-13-28-17-24)27(32)26-10-6-14-29-22(26)2/h3-10,13-14,17,23H,11-12,15-16,18-20H2,1-2H3/p+1