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

Systemtic Name: 3-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]propanoate CAS Name: 3-[2-(3-ammoniopropyl)-5,6-dimethyl-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(3-azaniumylpropyl)-5,6-dimethylbenzimidazol-1-yl]propanoate Traditional Name: 3-[2-(3-ammoniopropyl)-5,6-dimethyl-benzimidazol-1-yl]propionate Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-10-8-12-13(9-11(10)2)18(7-5-15(19)20)14(17-12)4-3-6-16/h8-9H,3-7,16H2,1-2H3,(H,19,20)