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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C18H24N4O2S/c1-13(23)22-9-7-21(8-10-22)12-17(24)20-18-15(11-19)14-5-3-2-4-6-16(14)25-18/h2-10,12H2,1H3,(H,20,24)/p+1