[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C

InChI

InChI=1S/C18H20N2O4/c1-12-4-5-16(10-13(12)2)14(3)19-17(21)11-24-18(22)15-6-8-20(23)9-7-15/h4-10,14H,11H2,1-3H3,(H,19,21)/t14-/m0/s1