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

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C19H27N3OS/c1-19(2,3)13-6-7-14-15(11-20)18(24-16(14)10-13)21-17(23)12-22-8-4-5-9-22/h13H,4-10,12H2,1-3H3,(H,21,23)/p+1/t13-/m1/s1