2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C19H28N5O2S+ MolecularWeight: 390.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H27N5O2S/c20-13-16-5-12-27-19(16)21-17(25)14-22-8-10-23(11-9-22)15-18(26)24-6-3-1-2-4-7-24/h5,12H,1-4,6-11,14-15H2,(H,21,25)/p+1