[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-[(1R)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]ammonium CAS Name: [(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]ammonium IUPAC Name: [(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]-[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]ammonium Formula: C22H23N2O6+ MolecularWeight: 411.42782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)[NH2+]C(CC3=CNC4=CC=CC=C43)C(=O)OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)[NH2+][C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)OC

InChI

InChI=1S/C22H22N2O6/c1-27-17-9-8-14-18(19(17)28-2)22(26)30-20(14)24-16(21(25)29-3)10-12-11-23-15-7-5-4-6-13(12)15/h4-9,11,16,20,23-24H,10H2,1-3H3/p+1/t16-,20+/m1/s1