ethyl 4-[(3S)-3-(4-aminocarbonylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3S)-3-(4-aminocarbonylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3S)-3-(4-carbamoylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4-carbamoyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4-carbamoylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-(4-carbamoylpiperidin-1-ium-1-yl)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C19H24N3O5+ MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C19H23N3O5/c1-2-27-19(26)13-3-5-14(6-4-13)22-16(23)11-15(18(22)25)21-9-7-12(8-10-21)17(20)24/h3-6,12,15H,2,7-11H2,1H3,(H2,20,24)/p+1/t15-/m0/s1