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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide Formula: C17H26N4OS+2 MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4OS/c1-2-20-7-9-21(10-8-20)12-16(22)19-17-14(11-18)13-5-3-4-6-15(13)23-17/h2-10,12H2,1H3,(H,19,22)/p+2