1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C23H25N2O+ MolecularWeight: 345.4574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C[N+]3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C[N+]3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C23H25N2O/c1-17-14-22(18(2)25(17)21-10-4-3-5-11-21)23(26)16-24-13-12-19-8-6-7-9-20(19)15-24/h3-5,10-15H,6-9,16H2,1-2H3/q+1