[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]ammonium Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C[C@H]3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H21NO4/c1-13-7-17-15(9-21(23)26-20(17)8-14(13)2)10-22-11-16-12-24-18-5-3-4-6-19(18)25-16/h3-9,16,22H,10-12H2,1-2H3/p+1/t16-/m0/s1