butyl 4-[(3R)-3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: butyl 4-[(3R)-3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[(3R)-3-(4-carbamoyl-4-piperidin-1-ium-1-yl-1-piperidyl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[(3R)-3-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-3-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidino)-2,5-diketo-pyrrolidino]benzoic acid butyl ester Formula: C26H37N4O5+ MolecularWeight: 485.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C26H36N4O5/c1-2-3-17-35-24(33)19-7-9-20(10-8-19)30-22(31)18-21(23(30)32)28-15-11-26(12-16-28,25(27)34)29-13-5-4-6-14-29/h7-10,21H,2-6,11-18H2,1H3,(H2,27,34)/p+1/t21-/m1/s1