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

Systemtic Name: 3-[2-[(1S)-1-azaniumylethyl]-5,6-dimethyl-benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[(1S)-1-azaniumylethyl]-5,6-dimethyl-benzimidazol-1-yl]propanoate CAS Name: 3-[2-[(1S)-1-ammonioethyl]-5,6-dimethyl-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[(1S)-1-azaniumylethyl]-5,6-dimethylbenzimidazol-1-yl]propanoate Traditional Name: 3-[2-[(1S)-1-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)C(C)[NH3+])CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-8-6-11-12(7-9(8)2)17(5-4-13(18)19)14(16-11)10(3)15/h6-7,10H,4-5,15H2,1-3H3,(H,18,19)/t10-/m0/s1