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

Systemtic Name: [4-[3,3-dimethyl-2-oxidanylidene-1-(1,2,3-triazol-2-yl)butoxy]phenyl]methylidene-oxidanyl-propan-2-yl-azanium Openeye Name: [4-[3,3-dimethyl-2-oxo-1-(triazol-2-yl)butoxy]phenyl]methylene-hydroxy-isopropyl-ammonium CAS Name: [4-[3,3-dimethyl-2-oxo-1-(2-triazolyl)butoxy]phenyl]methylidene-hydroxy-propan-2-ylammonium IUPAC Name: [4-[3,3-dimethyl-2-oxo-1-(triazol-2-yl)butoxy]phenyl]methylidene-hydroxy-propan-2-ylazanium Traditional Name: hydroxy-isopropyl-[4-[2-keto-3,3-dimethyl-1-(triazol-2-yl)butoxy]benzylidene]ammonium Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](=CC1=CC=C(C=C1)OC(C(=O)C(C)(C)C)N2N=CC=N2)O

Isomeric SMILES

CC(C)[N+](=CC1=CC=C(C=C1)OC(C(=O)C(C)(C)C)N2N=CC=N2)O

InChI

InChI=1S/C18H25N4O3/c1-13(2)21(24)12-14-6-8-15(9-7-14)25-17(16(23)18(3,4)5)22-19-10-11-20-22/h6-13,17,24H,1-5H3/q+1