[(1R)-1-(3,4-dimethoxyphenyl)-2-(9H-xanthen-9-ylcarbonylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(3,4-dimethoxyphenyl)-2-(9H-xanthen-9-ylcarbonylamino)ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(3,4-dimethoxyphenyl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(3,4-dimethoxyphenyl)-2-[[oxo(9H-xanthen-9-yl)methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(3,4-dimethoxyphenyl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(3,4-dimethoxyphenyl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethyl-ammonium Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H28N2O4/c1-28(2)20(17-13-14-23(30-3)24(15-17)31-4)16-27-26(29)25-18-9-5-7-11-21(18)32-22-12-8-6-10-19(22)25/h5-15,20,25H,16H2,1-4H3,(H,27,29)/p+1/t20-/m0/s1