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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)pyridine-4-carboxamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-4-pyridinecarboxamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)isonicotinamide Formula: C26H31N4O+ MolecularWeight: 415.55054

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-21-5-2-3-7-25(21)20-29-15-10-22(11-16-29)18-30(19-23-6-4-12-28-17-23)26(31)24-8-13-27-14-9-24/h2-9,12-14,17,22H,10-11,15-16,18-20H2,1H3/p+1