N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-methylpyridin-1-ium-1-yl)acetamide CAS Name: N-[3-[(4-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methylpyridin-1-ium-1-yl)acetamide Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)-N-(3-p-toluoyl-4,5,6,7-tetrahydrobenzothiophen-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(SC3=C2CCCC3)NC(=O)C[N+]4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[N+]4=CC=CC=C4C

InChI

InChI=1S/C24H24N2O2S/c1-16-10-12-18(13-11-16)23(28)22-19-8-3-4-9-20(19)29-24(22)25-21(27)15-26-14-6-5-7-17(26)2/h5-7,10-14H,3-4,8-9,15H2,1-2H3/p+1