5,6-dimethoxy-2-[2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]-2,3-dihydroinden-1-one

Systemtic Name: 5,6-dimethoxy-2-[2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]-2,3-dihydroinden-1-one Openeye Name: 2-[2-(1-benzylpyridin-1-ium-4-yl)ethyl]-5,6-dimethoxy-indan-1-one CAS Name: 5,6-dimethoxy-2-[2-[1-(phenylmethyl)-4-pyridin-1-iumyl]ethyl]-2,3-dihydroinden-1-one IUPAC Name: 2-[2-(1-benzylpyridin-1-ium-4-yl)ethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-[2-(1-benzylpyridin-1-ium-4-yl)ethyl]-5,6-dimethoxy-indan-1-one Formula: C25H26NO3+ MolecularWeight: 388.47884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)CCC3=CC=[N+](C=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CCC3=CC=[N+](C=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H26NO3/c1-28-23-15-21-14-20(25(27)22(21)16-24(23)29-2)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,10-13,15-16,20H,8-9,14,17H2,1-2H3/q+1