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

Systemtic Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]ethyl-dimethyl-ammonium Formula: C18H30N4+2 MolecularWeight: 302.4576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4/c1-13(2)11-17-15-8-6-5-7-14(15)16(12-19)18(21-17)20-9-10-22(3)4/h13H,5-11H2,1-4H3,(H,20,21)/p+2