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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C19H19N3O2S/c1-12-5-6-15-16(9-20)19(25-17(15)8-12)21-18(24)11-22-7-3-4-14(10-22)13(2)23/h3-4,7,10,12H,5-6,8,11H2,1-2H3/p+1/t12-/m0/s1