[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-20(16-6-3-2-4-7-16)11-5-10-19-17(22)14-25-18(23)15-8-12-21(24)13-9-15/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,19,22)