8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-chromone Formula: C22H22Cl2NO3+ MolecularWeight: 419.32098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C22H21Cl2NO3/c23-14-5-6-15(19(24)11-14)18-13-28-22-16(21(18)27)7-8-20(26)17(22)12-25-9-3-1-2-4-10-25/h5-8,11,13,26H,1-4,9-10,12H2/p+1