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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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