[3-(2-chlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [3-(2-chlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(2-chlorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl]-ethyl-ammonium CAS Name: [3-(2-chlorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2-chlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3-(2-chlorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl]-ethyl-ammonium Formula: C25H23ClNO3+ MolecularWeight: 420.90802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4Cl)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C25H22ClNO3/c1-2-27(14-17-8-4-3-5-9-17)15-20-23(28)13-12-19-24(29)21(16-30-25(19)20)18-10-6-7-11-22(18)26/h3-13,16,28H,2,14-15H2,1H3/p+1