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

Systemtic Name: dimethyl-[(1S)-1-thiophen-3-yl-2-(9H-xanthen-9-ylcarbonylamino)ethyl]azanium Openeye Name: dimethyl-[(1S)-1-(3-thienyl)-2-(9H-xanthene-9-carbonylamino)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo(9H-xanthen-9-yl)methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-thiophen-3-yl-2-(9H-xanthene-9-carbonylamino)ethyl]azanium Traditional Name: dimethyl-[(1S)-1-(3-thienyl)-2-(9H-xanthene-9-carbonylamino)ethyl]ammonium Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S/c1-24(2)18(15-11-12-27-14-15)13-23-22(25)21-16-7-3-5-9-19(16)26-20-10-6-4-8-17(20)21/h3-12,14,18,21H,13H2,1-2H3,(H,23,25)/p+1/t18-/m1/s1