dimethyl-[[2-[[[(3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[(3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[(3S)-1-oxo-3-phenyl-isochromane-6-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[oxo-[(3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[(3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[[(3S)-1-keto-3-phenyl-isochroman-6-carbonyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3/c1-28(2)17-21-11-7-6-10-20(21)16-27-25(29)19-12-13-23-22(14-19)15-24(31-26(23)30)18-8-4-3-5-9-18/h3-14,24H,15-17H2,1-2H3,(H,27,29)/p+1/t24-/m0/s1