N-[3-[methyl(phenyl)amino]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(N-methylanilino)propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-(N-methylanilino)propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(N-methylanilino)propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-(N-methylanilino)propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2/c1-18(15-8-3-2-4-9-15)11-6-10-17-16(20)14-7-5-12-19(21)13-14/h2-5,7-9,12-13H,6,10-11H2,1H3,(H,17,20)