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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C20H27N2O+ MolecularWeight: 311.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC3=C(CCCC3)C=C2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC3=C(CCCC3)C=C2)C

InChI

InChI=1S/C20H27N2O/c1-4-10-22-15(2)12-19(16(22)3)20(23)14-21-11-9-17-7-5-6-8-18(17)13-21/h9,11-13H,4-8,10,14H2,1-3H3/q+1