(2R)-2-[5,6-dimethoxy-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[5,6-dimethoxy-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[5,6-dimethoxy-2-[2-(methylammonio)ethyl]benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[5,6-dimethoxy-2-[2-(methylammonio)ethyl]-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[5,6-dimethoxy-2-[2-(methylazaniumyl)ethyl]benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[5,6-dimethoxy-2-[2-(methylammonio)ethyl]benzimidazol-1-yl]butyrate Formula: C16H23N3O4 MolecularWeight: 321.37152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC(=C(C=C2N=C1CC[NH2+]C)OC)OC

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=CC(=C(C=C2N=C1CC[NH2+]C)OC)OC

InChI

InChI=1S/C16H23N3O4/c1-5-11(16(20)21)19-12-9-14(23-4)13(22-3)8-10(12)18-15(19)6-7-17-2/h8-9,11,17H,5-7H2,1-4H3,(H,20,21)/t11-/m1/s1