[(1S)-1-(4-tert-butylphenyl)-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-oxochromene-3-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-oxochromene-3-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-ketochromene-3-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=CC3=CC=CC=C3OC2=O)[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC3=CC=CC=C3OC2=O)[NH+](C)C

InChI

InChI=1S/C24H28N2O3/c1-24(2,3)18-12-10-16(11-13-18)20(26(4)5)15-25-22(27)19-14-17-8-6-7-9-21(17)29-23(19)28/h6-14,20H,15H2,1-5H3,(H,25,27)/p+1/t20-/m1/s1