[(1S)-1-(2-methoxyphenyl)-2-(9H-xanthen-9-ylcarbonylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)-2-(9H-xanthen-9-ylcarbonylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-methoxyphenyl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)-2-[[oxo(9H-xanthen-9-yl)methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-methoxyphenyl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethyl-ammonium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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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=CC=C4OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C4=CC=CC=C4OC

InChI

InChI=1S/C25H26N2O3/c1-27(2)20(17-10-4-7-13-21(17)29-3)16-26-25(28)24-18-11-5-8-14-22(18)30-23-15-9-6-12-19(23)24/h4-15,20,24H,16H2,1-3H3,(H,26,28)/p+1/t20-/m1/s1