2-[4-(decan-2-ylamino)-5-methoxy-6-(methoxymethyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4-(decan-2-ylamino)-5-methoxy-6-(methoxymethyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[5-methoxy-6-(methoxymethyl)-4-(1-methylnonylamino)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-(decan-2-ylamino)-5-methoxy-6-(methoxymethyl)-1-pyrimidin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[4-(decan-2-ylamino)-5-methoxy-6-(methoxymethyl)pyrimidin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[5-methoxy-6-(methoxymethyl)-4-(1-methylnonylamino)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone Formula: C25H38N3O3+ MolecularWeight: 428.58752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)NC1=C(C(=[N+](C=N1)CC(=O)C2=CC=CC=C2)COC)OC

Isomeric SMILES

CCCCCCCCC(C)NC1=C(C(=[N+](C=N1)CC(=O)C2=CC=CC=C2)COC)OC

InChI

InChI=1S/C25H37N3O3/c1-5-6-7-8-9-11-14-20(2)27-25-24(31-4)22(18-30-3)28(19-26-25)17-23(29)21-15-12-10-13-16-21/h10,12-13,15-16,19-20H,5-9,11,14,17-18H2,1-4H3/p+1