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

Systemtic Name: butyl 4-[(3S)-3-(4-aminocarbonylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-2-3-12-29-21(28)15-4-6-16(7-5-15)24-18(25)13-17(20(24)27)23-10-8-14(9-11-23)19(22)26/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,26)/p+1/t17-/m0/s1