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

Systemtic Name: 3-[[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]amino]propyl-dimethyl-ammonium Formula: C19H26N4O+2 MolecularWeight: 326.43594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

Isomeric SMILES

C[NH+](C)CCCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

InChI

InChI=1S/C19H24N4O/c1-23(2)11-6-10-21-19-16(13-20)14-7-3-4-8-15(14)18(22-19)17-9-5-12-24-17/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H,21,22)/p+2