1-ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NCCO)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)NCCO)C#N

InChI

InChI=1S/C14H19N3O/c1-2-13-11-6-4-3-5-10(11)12(9-15)14(17-13)16-7-8-18/h18H,2-8H2,1H3,(H,16,17)/p+1