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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-4-10(15)14-16-11-5-8(2)9(3)6-12(11)17(14)7-13(18)19/h5-6,10H,4,7,15H2,1-3H3,(H,18,19)/t10-/m0/s1