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

Systemtic Name: [3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl-dipropylazanium Traditional Name: [3-(4-chlorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl-dipropyl-ammonium Formula: C22H25ClNO3+ MolecularWeight: 386.8918

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H24ClNO3/c1-3-11-24(12-4-2)13-18-20(25)10-9-17-21(26)19(14-27-22(17)18)15-5-7-16(23)8-6-15/h5-10,14,25H,3-4,11-13H2,1-2H3/p+1