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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-propylpyridin-1-ium-1-yl)acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propylpyridin-1-ium-1-yl)acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-propylpyridin-1-ium-1-yl)acetamide Formula: C20H24N3OS+ MolecularWeight: 354.48906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C#N

InChI

InChI=1S/C20H23N3OS/c1-3-4-15-7-9-23(10-8-15)13-19(24)22-20-17(12-21)16-6-5-14(2)11-18(16)25-20/h7-10,14H,3-6,11,13H2,1-2H3/p+1/t14-/m0/s1