8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(4-chlorophenyl)-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-7-hydroxy-chromone Formula: C22H23ClNO3+ MolecularWeight: 384.87592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO3/c23-16-7-5-15(6-8-16)19-14-27-22-17(21(19)26)9-10-20(25)18(22)13-24-11-3-1-2-4-12-24/h5-10,14,25H,1-4,11-13H2/p+1