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

Systemtic Name: ethyl 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3R)-2,5-dioxo-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-(4-pyridin-4-yl-1-piperidin-1-iumyl)-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-2,5-dioxo-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidino]benzoic acid ethyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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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)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C4=CC=NC=C4

InChI

InChI=1S/C23H25N3O4/c1-2-30-23(29)18-3-5-19(6-4-18)26-21(27)15-20(22(26)28)25-13-9-17(10-14-25)16-7-11-24-12-8-16/h3-8,11-12,17,20H,2,9-10,13-15H2,1H3/p+1/t20-/m1/s1