(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: benzyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=CC=C3)O

InChI

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