[(1S)-1-(4-tert-butylphenyl)-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(4-oxochromene-2-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(4-oxochromene-2-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(4-ketochromene-2-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C24H29N2O3+ MolecularWeight: 393.49866

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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=CC=CC=C3O2)[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+](C)C

InChI

InChI=1S/C24H28N2O3/c1-24(2,3)17-12-10-16(11-13-17)19(26(4)5)15-25-23(28)22-14-20(27)18-8-6-7-9-21(18)29-22/h6-14,19H,15H2,1-5H3,(H,25,28)/p+1/t19-/m1/s1