N-[5-methyl-3-(4-methylphenyl)carbonyl-thiophen-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[5-methyl-3-(4-methylphenyl)carbonyl-thiophen-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[5-methyl-3-(4-methylbenzoyl)-2-thienyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[5-methyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[5-methyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-methyl-3-p-toluoyl-2-thienyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC(=C2)C)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC(=C2)C)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H24N2O2S/c1-16-7-9-19(10-8-16)23(28)21-13-17(2)29-24(21)25-22(27)15-26-12-11-18-5-3-4-6-20(18)14-26/h3-10,13H,11-12,14-15H2,1-2H3,(H,25,27)/p+1