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

Systemtic Name: 2-chloroethyl 4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate Openeye Name: 2-chloroethyl 4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]benzoic acid 2-chloroethyl ester Formula: C18H22ClN2O4+ MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCCCl

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCCCl

InChI

InChI=1S/C18H21ClN2O4/c19-8-11-25-18(24)13-4-6-14(7-5-13)21-16(22)12-15(17(21)23)20-9-2-1-3-10-20/h4-7,15H,1-3,8-12H2/p+1/t15-/m1/s1