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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-ethyl-ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-ethylazanium Traditional Name: benzyl-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-ethyl-ammonium Formula: C20H21ClNO2+ MolecularWeight: 342.83924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C20H20ClNO2/c1-3-22(12-15-7-5-4-6-8-15)13-16-10-20(23)24-19-9-14(2)18(21)11-17(16)19/h4-11H,3,12-13H2,1-2H3/p+1