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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c24-17-20-19-9-5-2-6-10-21(19)29-23(20)25-22(28)11-12-26-13-15-27(16-14-26)18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-16H2,(H,25,28)/p+1