1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 7-benzyloxy-1-[(3,4-dibenzyloxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 7-benzoxy-1-(3,4-dibenzoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C38H38NO4+ MolecularWeight: 572.71262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C38H37NO4/c1-40-36-23-32-19-20-39-34(33(32)24-38(36)43-27-30-15-9-4-10-16-30)21-31-17-18-35(41-25-28-11-5-2-6-12-28)37(22-31)42-26-29-13-7-3-8-14-29/h2-18,22-24,34,39H,19-21,25-27H2,1H3/p+1