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

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H20N4O2S/c1-10-2-3-11-12(7-17)16(23-13(11)6-10)19-15(22)9-20-5-4-18-14(21)8-20/h10H,2-6,8-9H2,1H3,(H,18,21)(H,19,22)/p+1/t10-/m1/s1