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

Systemtic Name: dimethyl-[(1S)-1-(4-methylphenyl)-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(4-oxochromene-2-carbonyl)amino]-1-(p-tolyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-1-(4-methylphenyl)-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-(4-methylphenyl)-2-[(4-oxochromene-2-carbonyl)amino]ethyl]azanium Traditional Name: [(1S)-2-[(4-ketochromene-2-carbonyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+](C)C

InChI

InChI=1S/C21H22N2O3/c1-14-8-10-15(11-9-14)17(23(2)3)13-22-21(25)20-12-18(24)16-6-4-5-7-19(16)26-20/h4-12,17H,13H2,1-3H3,(H,22,25)/p+1/t17-/m1/s1