4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanamide

Systemtic Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanamide Openeye Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanamide CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanamide IUPAC Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanamide Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyramide Formula: C13H19N2O+ MolecularWeight: 219.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCC(=O)N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCC(=O)N

InChI

InChI=1S/C13H18N2O/c14-13(16)6-3-8-15-9-7-11-4-1-2-5-12(11)10-15/h1-2,4-5H,3,6-10H2,(H2,14,16)/p+1