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

Systemtic Name: ethyl 4-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-2,5-diketo-4-(4-methylpiperazin-4-ium-1-yl)-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H20ClN3O4/c1-3-26-18(25)12-4-6-13(7-5-12)22-16(23)14(19)15(17(22)24)21-10-8-20(2)9-11-21/h4-7H,3,8-11H2,1-2H3/p+1