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

Systemtic Name: N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-N-[3-[(4-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(3-p-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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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(=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[N+]4=CC=CC(=C4)O

InChI

InChI=1S/C23H22N2O3S/c1-15-8-10-16(11-9-15)22(28)21-18-6-2-3-7-19(18)29-23(21)24-20(27)14-25-12-4-5-17(26)13-25/h4-5,8-13H,2-3,6-7,14H2,1H3,(H-,24,26,27,28)/p+1