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

Systemtic Name: ethyl 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3R)-2,5-dioxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-2,5-dioxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidino]benzoic acid ethyl ester Formula: C23H30N3O5+ MolecularWeight: 428.5014

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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(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C23H29N3O5/c1-2-31-23(30)17-5-7-18(8-6-17)26-20(27)15-19(22(26)29)24-13-9-16(10-14-24)21(28)25-11-3-4-12-25/h5-8,16,19H,2-4,9-15H2,1H3/p+1/t19-/m1/s1