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

Systemtic Name: methyl 4-[(3S)-3-(4-aminocarbonylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-26-18(25)12-2-4-13(5-3-12)21-15(22)10-14(17(21)24)20-8-6-11(7-9-20)16(19)23/h2-5,11,14H,6-10H2,1H3,(H2,19,23)/p+1/t14-/m0/s1