5-(azepan-1-ium-1-ylmethyl)-6-oxidanyl-2-phenyl-chromen-4-one

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-6-oxidanyl-2-phenyl-chromen-4-one Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-phenyl-chromen-4-one CAS Name: 5-(1-azepan-1-iumylmethyl)-6-hydroxy-2-phenyl-1-benzopyran-4-one IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-phenylchromen-4-one Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-phenyl-chromone Formula: C22H24NO3+ MolecularWeight: 350.43086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2C(=O)C=C(O3)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2C(=O)C=C(O3)C4=CC=CC=C4)O

InChI

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