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

Systemtic Name: N-[5-ethyl-3-(4-methylphenyl)carbonyl-thiophen-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[5-ethyl-3-(4-methylbenzoyl)-2-thienyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[5-ethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-ethyl-3-p-toluoyl-2-thienyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26N2O2S/c1-3-21-14-22(24(29)19-10-8-17(2)9-11-19)25(30-21)26-23(28)16-27-13-12-18-6-4-5-7-20(18)15-27/h4-11,14H,3,12-13,15-16H2,1-2H3,(H,26,28)/p+1