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

Systemtic Name: ethyl 4-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-(4-methyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidino]benzoic acid ethyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-3-25-19(24)14-4-6-15(7-5-14)21-17(22)12-16(18(21)23)20-10-8-13(2)9-11-20/h4-7,13,16H,3,8-12H2,1-2H3/p+1/t16-/m1/s1