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

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H23N3OS/c1-12-5-6-13-14(10-18)17(22-15(13)9-12)19-16(21)11-20-7-3-2-4-8-20/h12H,2-9,11H2,1H3,(H,19,21)/p+1/t12-/m1/s1