6,7-dimethoxy-2-(pyren-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-(pyren-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-(pyren-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-(1-pyrenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-(pyren-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(pyren-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C28H26NO2+ MolecularWeight: 408.51154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)OC

InChI

InChI=1S/C28H25NO2/c1-30-25-14-21-12-13-29(17-23(21)15-26(25)31-2)16-22-9-8-20-7-6-18-4-3-5-19-10-11-24(22)28(20)27(18)19/h3-11,14-15H,12-13,16-17H2,1-2H3/p+1