4-(3,4-dimethoxyphenyl)-7-methoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-8-diazonium chloride

Systemtic Name: 4-(3,4-dimethoxyphenyl)-7-methoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-8-diazonium chloride Openeye Name: 2-benzyl-4-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-8-diazonium chloride CAS Name: 4-(3,4-dimethoxyphenyl)-7-methoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-8-diazonium chloride IUPAC Name: 2-benzyl-4-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-8-diazonium chloride Traditional Name: 2-benzyl-4-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-8-diazonium chloride Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CC3=C2C=CC(=C3[N+]#N)OC)CC4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2CN(CC3=C2C=CC(=C3[N+]#N)OC)CC4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C25H26N3O3.ClH/c1-29-22-11-9-18(13-24(22)31-3)20-15-28(14-17-7-5-4-6-8-17)16-21-19(20)10-12-23(30-2)25(21)27-26;/h4-13,20H,14-16H2,1-3H3;1H/q+1;/p-1