1-[3-[4-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenyl]piperazin-1-ium-1-carboxylic acid

Systemtic Name: 1-[3-[4-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenyl]piperazin-1-ium-1-carboxylic acid Openeye Name: 1-[3-[4-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]phenyl]piperazin-1-ium-1-carboxylic acid CAS Name: 1-[3-[4-(acetamidomethyl)-2-oxo-3-oxazolidinyl]phenyl]-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-[3-[4-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-ium-1-carboxylic acid Traditional Name: 1-[3-[4-(acetamidomethyl)-2-keto-oxazolidin-3-yl]phenyl]piperazin-1-ium-1-carboxylic acid Formula: C17H23N4O5+ MolecularWeight: 363.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1COC(=O)N1C2=CC(=CC=C2)[N+]3(CCNCC3)C(=O)O

Isomeric SMILES

CC(=O)NCC1COC(=O)N1C2=CC(=CC=C2)[N+]3(CCNCC3)C(=O)O

InChI

InChI=1S/C17H22N4O5/c1-12(22)19-10-14-11-26-16(23)20(14)13-3-2-4-15(9-13)21(17(24)25)7-5-18-6-8-21/h2-4,9,14,18H,5-8,10-11H2,1H3,(H-,19,22,24,25)/p+1