6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]pyridine-3-carboxamide

Systemtic Name: 6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]pyridine-3-carboxamide Openeye Name: 6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]pyridine-3-carboxamide CAS Name: 6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]pyridine-3-carboxamide Traditional Name: 6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]nicotinamide Formula: C18H22N3O+ MolecularWeight: 296.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O/c1-14-6-7-16(12-20-14)18(22)19-9-11-21-10-8-15-4-2-3-5-17(15)13-21/h2-7,12H,8-11,13H2,1H3,(H,19,22)/p+1