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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-piperidin-1-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[oxo(1-piperidinyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]propionamide Formula: C23H34N5O2S+ MolecularWeight: 444.61336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CC[NH+]3CCN(CC3)C(=O)N4CCCCC4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CC[NH+]3CCN(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C23H33N5O2S/c24-17-19-18-7-3-1-4-8-20(18)31-22(19)25-21(29)9-12-26-13-15-28(16-14-26)23(30)27-10-5-2-6-11-27/h1-16H2,(H,25,29)/p+1