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

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C21H32N3OS+ MolecularWeight: 374.56328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C#N

InChI

InChI=1S/C21H31N3OS/c1-14-7-9-24(10-8-14)13-19(25)23-20-17(12-22)16-6-5-15(21(2,3)4)11-18(16)26-20/h14-15H,5-11,13H2,1-4H3,(H,23,25)/p+1/t15-/m1/s1