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

Systemtic Name: N-[3-(4-bromophenyl)carbonyl-5-methyl-thiophen-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[3-(4-bromobenzoyl)-5-methyl-2-thienyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[3-[(4-bromophenyl)-oxomethyl]-5-methyl-2-thiophenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[3-(4-bromobenzoyl)-5-methylthiophen-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[3-(4-bromobenzoyl)-5-methyl-2-thienyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C23H22BrN2O2S+ MolecularWeight: 470.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-15-12-20(22(28)17-6-8-19(24)9-7-17)23(29-15)25-21(27)14-26-11-10-16-4-2-3-5-18(16)13-26/h2-9,12H,10-11,13-14H2,1H3,(H,25,27)/p+1