(3-chlorophenyl)methyl-[(2S)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: (3-chlorophenyl)methyl-[(2S)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: (3-chlorophenyl)methyl-[(2S)-2-hydroxy-3-(4-methyl-2-oxo-chromen-7-yl)oxy-propyl]ammonium CAS Name: (3-chlorophenyl)methyl-[(2S)-2-hydroxy-3-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]propyl]ammonium IUPAC Name: (3-chlorophenyl)methyl-[(2S)-2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]azanium Traditional Name: (3-chlorobenzyl)-[(2S)-2-hydroxy-3-(2-keto-4-methyl-chromen-7-yl)oxy-propyl]ammonium Formula: C20H21ClNO4+ MolecularWeight: 374.83804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH2+]CC3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH2+]CC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C20H20ClNO4/c1-13-7-20(24)26-19-9-17(5-6-18(13)19)25-12-16(23)11-22-10-14-3-2-4-15(21)8-14/h2-9,16,22-23H,10-12H2,1H3/p+1/t16-/m0/s1