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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-methoxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(2-keto-7-methoxy-chromen-4-yl)methyl]ammonium Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H23NO5/c1-3-23(13-17-14-26-19-6-4-5-7-20(19)27-17)12-15-10-22(24)28-21-11-16(25-2)8-9-18(15)21/h4-11,17H,3,12-14H2,1-2H3/p+1/t17-/m0/s1