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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-isoquinolin-2-ium-2-yl-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(2-isoquinolin-2-iumyl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-isoquinolin-2-ium-2-yl-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27N2O2/c1-19-16-25(20(2)28(19)15-12-21-8-10-24(30-3)11-9-21)26(29)18-27-14-13-22-6-4-5-7-23(22)17-27/h4-11,13-14,16-17H,12,15,18H2,1-3H3/q+1