(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO3/c1-15-9-10-19-17(13-20(23)25-21(19)16(15)2)14-22(3)11-12-24-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3/p+1