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

Systemtic Name: 3-[2-azanyl-3-[(2R)-3,3-dimethyl-2-oxidanyl-butyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-[(2R)-2-hydroxy-3,3-dimethyl-butyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-[(2R)-2-hydroxy-3,3-dimethylbutyl]-1-benzimidazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-[(2R)-2-hydroxy-3,3-dimethylbutyl]benzimidazol-3-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-[(2R)-2-hydroxy-3,3-dimethyl-butyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium Formula: C18H32N4O+2 MolecularWeight: 320.47288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)[C@H](C[N+]1=C(N(C2=CC=CC=C21)CCC[NH+](C)C)N)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+2/t16-/m0/s1