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

Systemtic Name: 2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetamide Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

InChI

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