2-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-(3-pyridin-1-iumylmethyl)-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(pyridin-1-ium-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H28N3+3 MolecularWeight: 310.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3/c1-2-6-19-16-23(13-7-18(19)5-1)20-8-11-22(12-9-20)15-17-4-3-10-21-14-17/h1-6,10,14,20H,7-9,11-13,15-16H2/p+3