N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

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