2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindolin-1-one CAS Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]-3H-isoindol-1-one Traditional Name: 2-[1-(3,4-diethoxyphenyl)-5-propyl-2H-pyridin-1-ium-1-yl]isoindolin-1-one Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](CC=C1)(C2=CC(=C(C=C2)OCC)OCC)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCCC1=C[N+](CC=C1)(C2=CC(=C(C=C2)OCC)OCC)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H31N2O3/c1-4-10-20-11-9-16-28(19-20,27-18-21-12-7-8-13-23(21)26(27)29)22-14-15-24(30-5-2)25(17-22)31-6-3/h7-9,11-15,17,19H,4-6,10,16,18H2,1-3H3/q+1