2-(3-ethanoylpyridin-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(3-ethanoylpyridin-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C24H23N2O3S+ MolecularWeight: 419.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-16(27)18-10-7-13-26(14-18)15-21(28)25-24-22(19-11-5-6-12-20(19)30-24)23(29)17-8-3-2-4-9-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3/p+1