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

Systemtic Name: 2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C23H32N2O+2 MolecularWeight: 352.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N2O/c1-2-26-23-10-6-5-9-21(23)17-24-14-12-22(13-15-24)25-16-11-19-7-3-4-8-20(19)18-25/h3-10,22H,2,11-18H2,1H3/p+2