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

Systemtic Name: propyl 4-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: propyl 4-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)-2,5-dioxo-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-2,5-diketo-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C20H25ClN3O4+ MolecularWeight: 406.8832

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)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4/c1-3-13-28-20(27)14-5-7-15(8-6-14)24-18(25)16(21)17(19(24)26)23-11-9-22(4-2)10-12-23/h5-8H,3-4,9-13H2,1-2H3/p+1