2-(azepan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazole CAS Name: 2-(1-azepan-1-iumylmethyl)-5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazole IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazole Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCCCCC4

InChI

InChI=1S/C19H22N4O2/c1-14-17(18(22-25-14)15-9-5-4-6-10-15)19-21-20-16(24-19)13-23-11-7-2-3-8-12-23/h4-6,9-10H,2-3,7-8,11-13H2,1H3/p+1