2-[2-[(1S)-1-azaniumylpropyl]-5,6-dimethyl-benzimidazol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(1S)-1-azaniumylpropyl]-5,6-dimethyl-benzimidazol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1S)-1-azaniumylpropyl]-5,6-dimethyl-benzimidazol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1S)-1-ammoniopropyl]-5,6-dimethyl-1-benzimidazolyl]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1S)-1-azaniumylpropyl]-5,6-dimethylbenzimidazol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-[(1S)-1-ammoniopropyl]-5,6-dimethyl-benzimidazol-1-yl]ethyl-dimethyl-ammonium Formula: C16H28N4+2 MolecularWeight: 276.42032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1CC[NH+](C)C)C=C(C(=C2)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=C(N1CC[NH+](C)C)C=C(C(=C2)C)C)[NH3+]

InChI

InChI=1S/C16H26N4/c1-6-13(17)16-18-14-9-11(2)12(3)10-15(14)20(16)8-7-19(4)5/h9-10,13H,6-8,17H2,1-5H3/p+2/t13-/m0/s1