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

Systemtic Name: 3-[2-azanylidene-3-(3,3-dimethyl-2-oxidanylidene-butyl)benzimidazol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-(3,3-dimethyl-2-oxo-butyl)-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-(3,3-dimethyl-2-oxobutyl)-2-imino-1-benzimidazolyl]propyl-dimethylammonium IUPAC Name: 3-[3-(3,3-dimethyl-2-oxobutyl)-2-iminobenzimidazol-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-imino-3-(2-keto-3,3-dimethyl-butyl)benzimidazol-1-yl]propyl-dimethyl-ammonium Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=N)CCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=N)CCC[NH+](C)C

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+1