methyl 2-[2-(2-chlorophenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-chlorophenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[2-(2-chlorophenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-1-yl]acetate CAS Name: 2-[2-(2-chlorophenyl)-1,5-bis(1-pyrrolyl)-1-pyrrol-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-chlorophenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-1-yl]acetate Traditional Name: 2-[2-(2-chlorophenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-1-yl]acetic acid methyl ester Formula: C21H19ClN3O2+ MolecularWeight: 380.84746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1(C(=CC=C1N2C=CC=C2)C3=CC=CC=C3Cl)N4C=CC=C4

Isomeric SMILES

COC(=O)C[N+]1(C(=CC=C1N2C=CC=C2)C3=CC=CC=C3Cl)N4C=CC=C4

InChI

InChI=1S/C21H19ClN3O2/c1-27-21(26)16-25(24-14-6-7-15-24)19(17-8-2-3-9-18(17)22)10-11-20(25)23-12-4-5-13-23/h2-15H,16H2,1H3/q+1