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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-isoquinolin-2-ium-2-yl-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(2-isoquinolin-2-iumyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-isoquinolin-2-ium-2-yl-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H23N2O2/c1-15-12-19(16(2)22(15)10-11-24-3)20(23)14-21-9-8-17-6-4-5-7-18(17)13-21/h4-9,12-13H,10-11,14H2,1-3H3/q+1