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

Systemtic Name: butyl 4-[(3R)-3-(4-methoxypiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[(3R)-3-(4-methoxypiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-(4-methoxy-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[(3R)-3-(4-methoxypiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-methoxypiperidin-1-ium-1-yl)pyrrolidino]benzoic acid butyl ester Formula: C21H29N2O5+ MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-3-4-13-28-21(26)15-5-7-16(8-6-15)23-19(24)14-18(20(23)25)22-11-9-17(27-2)10-12-22/h5-8,17-18H,3-4,9-14H2,1-2H3/p+1/t18-/m1/s1