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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C17H18N3O2S+ MolecularWeight: 328.40872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-11-4-5-13-14(8-18)17(23-15(13)7-11)19-16(22)10-20-6-2-3-12(21)9-20/h2-3,6,9,11H,4-5,7,10H2,1H3,(H-,19,21,22)/p+1/t11-/m0/s1