N-[4-(3-methylphenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(m-tolyl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(m-tolyl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O/c1-19-4-2-6-23(16-19)21-7-9-24(10-8-21)27-25(29)22-11-14-28(15-12-22)18-20-5-3-13-26-17-20/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3,(H,27,29)/p+1