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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-21(2)13-7-9-22(10-8-13)12-17(23)20-18-15(11-19)14-5-3-4-6-16(14)24-18/h7-10H,3-6,12H2,1-2H3/p+1