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

Systemtic Name: 3-[2-azanyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-(3,3-dimethyl-2-oxo-butyl)benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-(3,3-dimethyl-2-oxobutyl)-1-benzimidazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(3,3-dimethyl-2-oxobutyl)benzimidazol-3-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-(2-keto-3,3-dimethyl-butyl)benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c1-18(2,3)16(23)13-22-15-10-7-6-9-14(15)21(17(22)19)12-8-11-20(4)5/h6-7,9-10,19H,8,11-13H2,1-5H3/p+2