1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone Formula: C23H20ClN2O+ MolecularWeight: 375.8707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20ClN2O/c1-16-13-22(17(2)26(16)21-9-7-20(24)8-10-21)23(27)15-25-12-11-18-5-3-4-6-19(18)14-25/h3-14H,15H2,1-2H3/q+1