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

Systemtic Name: 5-(2-methylpropyl)-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-isobutyl-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]isoxazole CAS Name: 5-(2-methylpropyl)-3-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]isoxazole IUPAC Name: 5-(2-methylpropyl)-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-isobutyl-3-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]isoxazole Formula: C17H26N5O+ MolecularWeight: 316.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NO1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)CC1=CC(=NO1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H25N5O/c1-14(2)11-16-12-15(20-23-16)13-21-7-4-8-22(10-9-21)17-18-5-3-6-19-17/h3,5-6,12,14H,4,7-11,13H2,1-2H3/p+1