ethyl 4-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate bromide CAS Name: 4-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate bromide Traditional Name: 4-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C18H24BrN3O5 MolecularWeight: 442.30426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C18H23N3O5.BrH/c1-3-26-18(24)20-10-8-19(9-11-20)15-12-16(22)21(17(15)23)13-4-6-14(25-2)7-5-13;/h4-7,15H,3,8-12H2,1-2H3;1H