[4-[3,3-dimethyl-2-oxidanyl-1-(1,2,4-triazol-1-yl)butoxy]phenyl]methylidene-methyl-oxidanyl-azanium

Systemtic Name: [4-[3,3-dimethyl-2-oxidanyl-1-(1,2,4-triazol-1-yl)butoxy]phenyl]methylidene-methyl-oxidanyl-azanium Openeye Name: hydroxy-[[4-[2-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]phenyl]methylene]-methyl-ammonium CAS Name: hydroxy-[[4-[2-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]phenyl]methylidene]-methylammonium IUPAC Name: hydroxy-[[4-[2-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]phenyl]methylidene]-methylazanium Traditional Name: hydroxy-[4-[2-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]benzylidene]-methyl-ammonium Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C=[N+](C)O)O

Isomeric SMILES

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C=[N+](C)O)O

InChI

InChI=1S/C16H23N4O3/c1-16(2,3)14(21)15(20-11-17-10-18-20)23-13-7-5-12(6-8-13)9-19(4)22/h5-11,14-15,21-22H,1-4H3/q+1