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

Systemtic Name: 3-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-ammonium Formula: C19H32N4+2 MolecularWeight: 316.48418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCC2=C(C(=[NH+]1)NCCC[NH+](C)C)C#N

Isomeric SMILES

CC(C)CC1=C2CCCCC2=C(C(=[NH+]1)NCCC[NH+](C)C)C#N

InChI

InChI=1S/C19H30N4/c1-14(2)12-18-16-9-6-5-8-15(16)17(13-20)19(22-18)21-10-7-11-23(3)4/h14H,5-12H2,1-4H3,(H,21,22)/p+2