2-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]acetate CAS Name: 2-[2-(3-ammoniopropyl)-5,6-dimethyl-1-benzimidazolyl]acetate IUPAC Name: 2-[2-(3-azaniumylpropyl)-5,6-dimethylbenzimidazol-1-yl]acetate Traditional Name: 2-[2-(3-ammoniopropyl)-5,6-dimethyl-benzimidazol-1-yl]acetate Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CC(=O)[O-]

InChI

InChI=1S/C14H19N3O2/c1-9-6-11-12(7-10(9)2)17(8-14(18)19)13(16-11)4-3-5-15/h6-7H,3-5,8,15H2,1-2H3,(H,18,19)