[2-(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-(furan-3-ylmethyl)-methyl-azanium

Systemtic Name: [2-(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-(furan-3-ylmethyl)-methyl-azanium Openeye Name: [2-(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(3-furylmethyl)-methyl-ammonium CAS Name: [2-(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(3-furanylmethyl)-methylammonium IUPAC Name: [2-(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(furan-3-ylmethyl)-methylazanium Traditional Name: [2-(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]-(3-furfuryl)-methyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CC3=COC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CC3=COC=C3

InChI

InChI=1S/C21H25N3O2/c1-21(2,3)18-11-19(25)23-20(22-18)17-8-6-5-7-16(17)13-24(4)12-15-9-10-26-14-15/h5-11,14H,12-13H2,1-4H3,(H,22,23,25)/p+1