[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c20-16(18-10-4-7-14-5-2-1-3-6-14)13-23-17(21)15-8-11-19(22)12-9-15/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,18,20)