2-[2-azanyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)benzimidazol-3-ium-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-azanyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)benzimidazol-3-ium-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-amino-3-(3,3-dimethyl-2-oxo-butyl)benzimidazol-3-ium-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-amino-3-(3,3-dimethyl-2-oxobutyl)-1-benzimidazol-3-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[2-amino-3-(3,3-dimethyl-2-oxobutyl)benzimidazol-3-ium-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-amino-3-(2-keto-3,3-dimethyl-butyl)benzimidazol-3-ium-1-yl]ethyl-dimethyl-ammonium Formula: C17H28N4O+2 MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+](C)C)N

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+](C)C)N

InChI

InChI=1S/C17H26N4O/c1-17(2,3)15(22)12-21-14-9-7-6-8-13(14)20(16(21)18)11-10-19(4)5/h6-9,18H,10-12H2,1-5H3/p+2