(2R)-2-[5,6-dimethyl-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]propanoate

Systemtic Name: (2R)-2-[5,6-dimethyl-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[5,6-dimethyl-2-[2-(methylammonio)ethyl]benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[5,6-dimethyl-2-[2-(methylammonio)ethyl]-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[5,6-dimethyl-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[5,6-dimethyl-2-[2-(methylammonio)ethyl]benzimidazol-1-yl]propionate Formula: C15H21N3O2 MolecularWeight: 275.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CC[NH2+]C)C(C)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CC[NH2+]C)[C@H](C)C(=O)[O-]

InChI

InChI=1S/C15H21N3O2/c1-9-7-12-13(8-10(9)2)18(11(3)15(19)20)14(17-12)5-6-16-4/h7-8,11,16H,5-6H2,1-4H3,(H,19,20)/t11-/m1/s1