5-cyclopropyl-3-[[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-cyclopropyl-3-[[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-cyclopropyl-3-[[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-cyclopropyl-3-[[4-(3-methyl-4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-cyclopropyl-3-[[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-cyclopropyl-3-[[4-(3-methylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C17H24N4O+2 MolecularWeight: 300.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[NH+]=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4CC4

Isomeric SMILES

CC1=C(C=C[NH+]=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4CC4

InChI

InChI=1S/C17H22N4O/c1-13-11-18-5-4-16(13)21-8-6-20(7-9-21)12-15-10-17(22-19-15)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3/p+2