N-(2-cyanoethyl)-N-phenyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=NC=CS3

InChI

InChI=1S/C18H21N5OS/c19-7-4-9-23(16-5-2-1-3-6-16)17(24)15-21-10-12-22(13-11-21)18-20-8-14-25-18/h1-3,5-6,8,14H,4,9-13,15H2/p+1