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

Systemtic Name: 3-[2-azanylidene-3-[(2R)-3,3-dimethyl-2-oxidanyl-butyl]benzimidazol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-[(2R)-2-hydroxy-3,3-dimethyl-butyl]-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[(2R)-2-hydroxy-3,3-dimethylbutyl]-2-imino-1-benzimidazolyl]propyl-dimethylammonium IUPAC Name: 3-[3-[(2R)-2-hydroxy-3,3-dimethylbutyl]-2-iminobenzimidazol-1-yl]propyl-dimethylazanium Traditional Name: 3-[3-[(2R)-2-hydroxy-3,3-dimethyl-butyl]-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium Formula: C18H31N4O+ MolecularWeight: 319.46494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O/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/h6-7,9-10,16,19,23H,8,11-13H2,1-5H3/p+1/t16-/m0/s1