(4-tert-butyl-2,6-dimethyl-phenyl)methyl-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl-[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butyl-2,6-dimethylphenyl)methyl-[2-(2-furanylmethylamino)-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butyl-2,6-dimethyl-benzyl)-[2-(2-furfurylamino)-2-keto-ethyl]-methyl-ammonium Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[NH+](C)CC(=O)NCC2=CC=CO2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C[NH+](C)CC(=O)NCC2=CC=CO2)C)C(C)(C)C

InChI

InChI=1S/C21H30N2O2/c1-15-10-17(21(3,4)5)11-16(2)19(15)13-23(6)14-20(24)22-12-18-8-7-9-25-18/h7-11H,12-14H2,1-6H3,(H,22,24)/p+1