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

Systemtic Name: methyl 4-[(3R)-3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H31N4O5+ MolecularWeight: 443.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5/c1-32-21(30)16-5-7-17(8-6-16)27-19(28)15-18(20(27)29)25-13-9-23(10-14-25,22(24)31)26-11-3-2-4-12-26/h5-8,18H,2-4,9-15H2,1H3,(H2,24,31)/p+1/t18-/m1/s1