(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-m-anisyl-methyl-ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H23NO3/c1-14-8-19-17(11-21(23)25-20(19)9-15(14)2)13-22(3)12-16-6-5-7-18(10-16)24-4/h5-11H,12-13H2,1-4H3/p+1