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

Systemtic Name: propan-2-yl 4-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H23ClN3O4+ MolecularWeight: 392.85662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4/c1-12(2)27-19(26)13-4-6-14(7-5-13)23-17(24)15(20)16(18(23)25)22-10-8-21(3)9-11-22/h4-7,12H,8-11H2,1-3H3/p+1