[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: [4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: (3-benzyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: [7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: (3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: (3-benzyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-[(2R)-2-hydroxypropyl]ammonium Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC(C)O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C[C@@H](C)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c1-13(23)11-22-12-18-19(24)9-8-16-14(2)17(21(25)26-20(16)18)10-15-6-4-3-5-7-15/h3-9,13,22-24H,10-12H2,1-2H3/p+1/t13-/m1/s1