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

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-11-4-5-12-13(9-17)16(21-14(12)8-11)18-15(20)10-19-6-2-3-7-19/h11H,2-8,10H2,1H3,(H,18,20)/p+1/t11-/m1/s1