2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindolin-1-one CAS Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one Traditional Name: 2-[1-(3,4-diethoxyphenyl)-6-ethyl-2H-pyridin-1-ium-1-yl]isoindolin-1-one Formula: C25H29N2O3+ MolecularWeight: 405.50936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC[N+]1(C2=CC(=C(C=C2)OCC)OCC)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC=CC[N+]1(C2=CC(=C(C=C2)OCC)OCC)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N2O3/c1-4-20-12-9-10-16-27(20,26-18-19-11-7-8-13-22(19)25(26)28)21-14-15-23(29-5-2)24(17-21)30-6-3/h7-15,17H,4-6,16,18H2,1-3H3/q+1