3-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate CAS Name: 3-[2-(2-ammonioethyl)-5,6-dimethyl-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(2-azaniumylethyl)-5,6-dimethylbenzimidazol-1-yl]propanoate Traditional Name: 3-[2-(2-ammonioethyl)-5,6-dimethyl-benzimidazol-1-yl]propionate Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(6-4-14(18)19)13(16-11)3-5-15/h7-8H,3-6,15H2,1-2H3,(H,18,19)