3-[(6-cyano-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-11-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-cyano-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-11-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-cyano-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-11-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-cyano-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-11-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-cyano-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinolin-12-ium-11-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-cyano-7,8,9,10-tetrahydro-5H-benzimidazol[1,2-b]isoquinolin-12-ium-11-yl)amino]propyl-dimethyl-ammonium Formula: C21H27N5+2 MolecularWeight: 349.47258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C2CCCCC2=C(C3=[N+]1C4=CC=CC=C4N3)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C2CCCCC2=C(C3=[N+]1C4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H25N5/c1-25(2)13-7-12-23-20-16-9-4-3-8-15(16)17(14-22)21-24-18-10-5-6-11-19(18)26(20)21/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3,(H,23,24)/p+2