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

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[(6-chloranyl-4-oxidanylidene-chromen-2-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(6-chloro-4-oxo-chromene-2-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[(6-chloro-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(6-chloro-4-oxochromene-2-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(6-chloro-4-keto-chromene-2-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C24H28ClN2O3+ MolecularWeight: 427.94372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)[NH+](C)C

InChI

InChI=1S/C24H27ClN2O3/c1-24(2,3)16-8-6-15(7-9-16)19(27(4)5)14-26-23(29)22-13-20(28)18-12-17(25)10-11-21(18)30-22/h6-13,19H,14H2,1-5H3,(H,26,29)/p+1/t19-/m1/s1