(2S)-N-(3-cyanothiophen-2-yl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-cyano-2-thienyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-cyano-2-thiophenyl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-cyano-2-thienyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propionamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C16H20N4O2S/c1-11(14(21)18-15-13(10-17)4-9-23-15)19-5-7-20(8-6-19)16(22)12-2-3-12/h4,9,11-12H,2-3,5-8H2,1H3,(H,18,21)/p+1/t11-/m0/s1