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

Systemtic Name: butyl 4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C20H26N2O4/c1-2-3-13-26-20(25)15-7-9-16(10-8-15)22-18(23)14-17(19(22)24)21-11-5-4-6-12-21/h7-10,17H,2-6,11-14H2,1H3/p+1/t17-/m1/s1