N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]propionamide Formula: C22H33N5O2S+2 MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CC[NH+]3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CC[NH+]3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H31N5O2S/c23-14-18-17-4-2-1-3-5-19(17)30-22(18)25-20(28)8-9-26-10-12-27(13-11-26)15-21(29)24-16-6-7-16/h16H,1-13,15H2,(H,24,29)(H,25,28)/p+2