N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C16H24N4OS+2 MolecularWeight: 320.45296

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H22N4OS/c1-19-6-8-20(9-7-19)11-15(21)18-16-13(10-17)12-4-2-3-5-14(12)22-16/h2-9,11H2,1H3,(H,18,21)/p+2