2-[1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(3-benzoxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C29H36N2O2+2 MolecularWeight: 444.60834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC4=CC=CC=C4C3)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC4=CC=CC=C4C3)OCC5=CC=CC=C5

InChI

InChI=1S/C29H34N2O2/c1-32-28-12-11-24(19-29(28)33-22-23-7-3-2-4-8-23)20-30-16-14-27(15-17-30)31-18-13-25-9-5-6-10-26(25)21-31/h2-12,19,27H,13-18,20-22H2,1H3/p+2