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

Systemtic Name: butyl 4-[(3R)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[(3R)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-(4-methyl-1-piperazin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[(3R)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidino]benzoic acid butyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-3-4-13-27-20(26)15-5-7-16(8-6-15)23-18(24)14-17(19(23)25)22-11-9-21(2)10-12-22/h5-8,17H,3-4,9-14H2,1-2H3/p+1/t17-/m1/s1