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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-phenyl-chromone Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c24-20-11-10-17-21(25)19(16-8-4-3-5-9-16)15-26-22(17)18(20)14-23-12-6-1-2-7-13-23/h3-5,8-11,15,24H,1-2,6-7,12-14H2/p+1