methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(1S)-1-phenylethyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-methyl-[(1S)-1-phenylethyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1-phenylethyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-methyl-[(1S)-1-phenylethyl]ammonium Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)C(C)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)[C@@H](C)C3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO3/c1-13-18(22)10-9-17-16(11-19(23)24-20(13)17)12-21(3)14(2)15-7-5-4-6-8-15/h4-11,14,22H,12H2,1-3H3/p+1/t14-/m0/s1