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

Systemtic Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(3-chlorobenzyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H27ClN2+2 MolecularWeight: 342.90548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H25ClN2/c22-20-7-3-4-17(14-20)15-23-11-9-21(10-12-23)24-13-8-18-5-1-2-6-19(18)16-24/h1-7,14,21H,8-13,15-16H2/p+2