8-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-4-phenyl-chromen-2-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-phenyl-chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-4-phenyl-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-phenylchromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-phenyl-coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

InChI

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