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

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(p-tolyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(p-tolyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C19H23N5OS/c1-16-3-5-17(6-4-16)24(9-2-7-20)18(25)15-22-10-12-23(13-11-22)19-21-8-14-26-19/h3-6,8,14H,2,9-13,15H2,1H3/p+1