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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetamide Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-3-15(4-2)16-9-11-24(12-10-16)14-20(25)23-21-18(13-22)17-7-5-6-8-19(17)26-21/h9-12,15H,3-8,14H2,1-2H3/p+1