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

Systemtic Name: ethyl 4-[(3R)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-3-25-18(24)13-4-6-14(7-5-13)21-16(22)12-15(17(21)23)20-10-8-19(2)9-11-20/h4-7,15H,3,8-12H2,1-2H3/p+1/t15-/m1/s1