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

Systemtic Name: 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H21N5O2S/c17-9-12-3-8-24-16(12)19-15(23)11-21-6-4-20(5-7-21)10-14(22)18-13-1-2-13/h3,8,13H,1-2,4-7,10-11H2,(H,18,22)(H,19,23)/p+1