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

Systemtic Name: 3-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-butyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]propyl-dimethyl-ammonium Formula: C19H31N4+ MolecularWeight: 315.47624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4/c1-4-5-11-18-16-10-7-6-9-15(16)17(14-20)19(22-18)21-12-8-13-23(2)3/h4-13H2,1-3H3,(H,21,22)/p+1