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

Systemtic Name: methyl 2-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 2-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 2-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)-2,5-dioxo-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 2-[3-chloro-2,5-diketo-4-(4-methylpiperazin-4-ium-1-yl)-3-pyrrolin-1-yl]benzoic acid methyl ester Formula: C17H19ClN3O4+ MolecularWeight: 364.80346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C17H18ClN3O4/c1-19-7-9-20(10-8-19)14-13(18)15(22)21(16(14)23)12-6-4-3-5-11(12)17(24)25-2/h3-6H,7-10H2,1-2H3/p+1