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

Systemtic Name: 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-dimethyl-ammonium Formula: C17H27N4+ MolecularWeight: 287.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=N1)NCC[NH+](C)C)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=N1)NCC[NH+](C)C)C#N

InChI

InChI=1S/C17H26N4/c1-12(2)16-14-8-6-5-7-13(14)15(11-18)17(20-16)19-9-10-21(3)4/h12H,5-10H2,1-4H3,(H,19,20)/p+1