N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3-dimethyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

InChI

InChI=1S/C18H19N3OS/c1-12-6-5-9-21(13(12)2)11-17(22)20-18-15(10-19)14-7-3-4-8-16(14)23-18/h5-6,9H,3-4,7-8,11H2,1-2H3/p+1