N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[2-[(3-methyl-1-piperidyl)methyl]phenyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[2-[(3-methyl-1-piperidinyl)methyl]phenyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(3-methylpiperidino)methyl]benzyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=CC=C2CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1CCCN(C1)CC2=CC=CC=C2CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C20H25N3O2/c1-16-6-4-10-22(13-16)14-18-8-3-2-7-17(18)12-21-20(24)19-9-5-11-23(25)15-19/h2-3,5,7-9,11,15-16H,4,6,10,12-14H2,1H3,(H,21,24)