(2R)-N-(4-cyanophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H19N5OS/c1-13(16(23)20-15-4-2-14(12-18)3-5-15)21-7-9-22(10-8-21)17-19-6-11-24-17/h2-6,11,13H,7-10H2,1H3,(H,20,23)/p+1/t13-/m1/s1