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

Systemtic Name: 8-(azepan-1-ylmethyl)-7-oxidanyl-3-phenyl-chromen-4-one chloride Openeye Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-phenyl-chromen-4-one chloride CAS Name: 8-(1-azepanylmethyl)-7-hydroxy-3-phenyl-1-benzopyran-4-one chloride IUPAC Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-phenylchromen-4-one chloride Traditional Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-phenyl-chromone chloride Formula: C22H23ClNO3- MolecularWeight: 384.87592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C22H23NO3.ClH/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;1H/p-1