2-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-ammonium Formula: C18H29N4+ MolecularWeight: 301.44966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=N1)NCC[NH+](C)C)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=N1)NCC[NH+](C)C)C#N

InChI

InChI=1S/C18H28N4/c1-4-5-10-17-15-9-7-6-8-14(15)16(13-19)18(21-17)20-11-12-22(2)3/h4-12H2,1-3H3,(H,20,21)/p+1