3-[(1S)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]aniline

Systemtic Name: 3-[(1S)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]aniline Openeye Name: 3-[(1S)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]aniline CAS Name: 3-[(1S)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]aniline IUPAC Name: 3-[(1S)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]aniline Traditional Name: [3-[(1S)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]phenyl]amine Formula: C17H21N2+ MolecularWeight: 253.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)N)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H20N2/c1-13(15-7-4-8-17(18)11-15)19-10-9-14-5-2-3-6-16(14)12-19/h2-8,11,13H,9-10,12,18H2,1H3/p+1/t13-/m0/s1