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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C19H27N3OS/c1-14-7-8-15-16(12-20)19(24-17(15)11-14)21-18(23)13-22-9-5-3-2-4-6-10-22/h14H,2-11,13H2,1H3,(H,21,23)/p+1/t14-/m1/s1