[(1R)-1-(4-tert-butylphenyl)-2-[(6-ethyl-4-oxidanylidene-chromen-2-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-tert-butylphenyl)-2-[(6-ethyl-4-oxidanylidene-chromen-2-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-tert-butylphenyl)-2-[(6-ethyl-4-oxo-chromene-2-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-tert-butylphenyl)-2-[[(6-ethyl-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-tert-butylphenyl)-2-[(6-ethyl-4-oxochromene-2-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-tert-butylphenyl)-2-[(6-ethyl-4-keto-chromene-2-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)[NH+](C)C

InChI

InChI=1S/C26H32N2O3/c1-7-17-8-13-23-20(14-17)22(29)15-24(31-23)25(30)27-16-21(28(5)6)18-9-11-19(12-10-18)26(2,3)4/h8-15,21H,7,16H2,1-6H3,(H,27,30)/p+1/t21-/m0/s1