2-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(1-p-anisylpiperidin-1-ium-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30N2O+2 MolecularWeight: 338.4864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-25-22-8-6-18(7-9-22)16-23-13-11-21(12-14-23)24-15-10-19-4-2-3-5-20(19)17-24/h2-9,21H,10-17H2,1H3/p+2