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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H28N4OS+2 MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-2-7-21-8-10-22(11-9-21)13-17(23)20-18-15(12-19)14-5-3-4-6-16(14)24-18/h2-11,13H2,1H3,(H,20,23)/p+2