N-[4-(3-methylphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-methyl-2-pyridyl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-methyl-2-pyridyl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H29N3O/c1-19-5-3-7-23(17-19)21-9-11-24(12-10-21)28-26(30)22-13-15-29(16-14-22)18-25-8-4-6-20(2)27-25/h3-12,17,22H,13-16,18H2,1-2H3,(H,28,30)/p+1