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

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=NC=CS3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=NC=CS3

InChI

InChI=1S/C17H22N4OS/c1-14-4-2-3-5-15(14)12-20-7-9-21(10-8-20)13-16(22)19-17-18-6-11-23-17/h2-6,11H,7-10,12-13H2,1H3,(H,18,19,22)/p+1