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

Systemtic Name: 2-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H27N3O2+2 MolecularWeight: 353.45798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O2/c25-24(26)21-8-4-3-7-19(21)15-22-12-10-20(11-13-22)23-14-9-17-5-1-2-6-18(17)16-23/h1-8,20H,9-16H2/p+2