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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C#N

InChI

InChI=1S/C20H23N3OS/c1-4-15-7-6-14(3)23(11-15)12-19(24)22-20-17(10-21)16-8-5-13(2)9-18(16)25-20/h6-7,11,13H,4-5,8-9,12H2,1-3H3/p+1/t13-/m0/s1