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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCC[NH+](C3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O/c1-19-6-2-8-21(14-19)22-9-3-11-24(15-22)27-25(29)23-10-5-13-28(18-23)17-20-7-4-12-26-16-20/h2-4,6-9,11-12,14-16,23H,5,10,13,17-18H2,1H3,(H,27,29)/p+1/t23-/m0/s1