2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: 2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]acetamide Formula: C22H31N4OS+ MolecularWeight: 399.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4OS/c1-16(2)22-23-17(3)13-21(25-22)28-15-20(27)24-19-9-11-26(12-10-19)14-18-7-5-4-6-8-18/h4-8,13,16,19H,9-12,14-15H2,1-3H3,(H,24,27)/p+1