2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N5O+ MolecularWeight: 340.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C19H25N5O/c1-15-12-16(2)22-19(21-15)24-10-8-23(9-11-24)14-18(25)20-13-17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,25)/p+1