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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-ethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-ethyl-2-keto-chromen-4-yl)methyl]ammonium Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](CC)CC3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](CC)C[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H25NO4/c1-3-16-9-10-19-17(12-23(25)28-22(19)11-16)13-24(4-2)14-18-15-26-20-7-5-6-8-21(20)27-18/h5-12,18H,3-4,13-15H2,1-2H3/p+1/t18-/m0/s1