2-(furan-2-yl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(furan-2-yl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(2-furyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 2-(2-furanyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole IUPAC Name: 2-(furan-2-yl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(2-furyl)-5-methyl-4-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole Formula: C18H22N5O2+ MolecularWeight: 340.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CO2)C[NH+]3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CO2)C[NH+]3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N5O2/c1-14-15(21-17(25-14)16-5-2-12-24-16)13-22-8-4-9-23(11-10-22)18-19-6-3-7-20-18/h2-3,5-7,12H,4,8-11,13H2,1H3/p+1