5,6-dimethoxy-2-(phenylmethyl)-2-(3-phenylpropyl)-1,3-dihydroisoindol-2-ium

Systemtic Name: 5,6-dimethoxy-2-(phenylmethyl)-2-(3-phenylpropyl)-1,3-dihydroisoindol-2-ium Openeye Name: 2-benzyl-5,6-dimethoxy-2-(3-phenylpropyl)isoindolin-2-ium CAS Name: 5,6-dimethoxy-2-(phenylmethyl)-2-(3-phenylpropyl)-1,3-dihydroisoindol-2-ium IUPAC Name: 2-benzyl-5,6-dimethoxy-2-(3-phenylpropyl)-1,3-dihydroisoindol-2-ium Traditional Name: 2-benzyl-5,6-dimethoxy-2-(3-phenylpropyl)isoindolin-2-ium Formula: C26H30NO2+ MolecularWeight: 388.5219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[N+](CC2=C1)(CCCC3=CC=CC=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[N+](CC2=C1)(CCCC3=CC=CC=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H30NO2/c1-28-25-16-23-19-27(18-22-12-7-4-8-13-22,20-24(23)17-26(25)29-2)15-9-14-21-10-5-3-6-11-21/h3-8,10-13,16-17H,9,14-15,18-20H2,1-2H3/q+1