4-[[5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-4-ium Formula: C14H17N4O4+ MolecularWeight: 305.30918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(O2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(O2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4/c1-10-8-11(2-3-12(10)18(19)20)14-16-15-13(22-14)9-17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3/p+1