N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-indazole-3-carboxamide Openeye Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-indazole-3-carboxamide CAS Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-indazole-3-carboxamide IUPAC Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-indazole-3-carboxamide Traditional Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-indazole-3-carboxamide Formula: C20H23N4O+ MolecularWeight: 335.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O/c25-20(19-17-8-3-4-9-18(17)22-23-19)21-11-5-12-24-13-10-15-6-1-2-7-16(15)14-24/h1-4,6-9H,5,10-14H2,(H,21,25)(H,22,23)/p+1