dimethyl-[(2S)-1-phenyl-3-(9H-xanthen-9-ylcarbonylamino)propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-(9H-xanthen-9-ylcarbonylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[oxo(9H-xanthen-9-yl)methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-(9H-xanthene-9-carbonylamino)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethyl-ammonium Formula: C25H27N2O2+ MolecularWeight: 387.49408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C25H26N2O2/c1-27(2)19(16-18-10-4-3-5-11-18)17-26-25(28)24-20-12-6-8-14-22(20)29-23-15-9-7-13-21(23)24/h3-15,19,24H,16-17H2,1-2H3,(H,26,28)/p+1/t19-/m0/s1