[(1R)-1-(3-methoxyphenyl)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(3-methoxyphenyl)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(3-methoxyphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylammonio]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(3-methoxyphenyl)-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylammonio]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(3-methoxyphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylazaniumyl]ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3-ketobenzo[f]chromen-1-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C25H28N2O3+2 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)C4=CC(=CC=C4)OC

Isomeric SMILES

C[NH+](C)[C@@H](C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H26N2O3/c1-27(2)22(18-8-6-9-20(13-18)29-3)16-26-15-19-14-24(28)30-23-12-11-17-7-4-5-10-21(17)25(19)23/h4-14,22,26H,15-16H2,1-3H3/p+2/t22-/m0/s1