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

Systemtic Name: 2-chloranyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide Openeye Name: 2-chloro-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)pyridine-4-carboxamide CAS Name: 2-chloro-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide Traditional Name: 2-chloro-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)isonicotinamide Formula: C26H30ClN4O+ MolecularWeight: 449.9956

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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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4O/c1-20-5-2-3-7-24(20)19-30-13-9-21(10-14-30)17-31(18-22-6-4-11-28-16-22)26(32)23-8-12-29-25(27)15-23/h2-8,11-12,15-16,21H,9-10,13-14,17-19H2,1H3/p+1