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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c23-15-19-18-9-5-2-6-10-20(18)28-22(19)24-21(27)16-25-11-13-26(14-12-25)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-14,16H2,(H,24,27)/p+1