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

Systemtic Name: ethyl 4-[(3R)-3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H33N4O5+ MolecularWeight: 457.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O5/c1-2-33-22(31)17-6-8-18(9-7-17)28-20(29)16-19(21(28)30)26-14-10-24(11-15-26,23(25)32)27-12-4-3-5-13-27/h6-9,19H,2-5,10-16H2,1H3,(H2,25,32)/p+1/t19-/m1/s1