butyl 3-(1H-benzimidazol-3-ium-2-yl)propanoate

Systemtic Name: butyl 3-(1H-benzimidazol-3-ium-2-yl)propanoate Openeye Name: butyl 3-(1H-benzimidazol-3-ium-2-yl)propanoate CAS Name: 3-(1H-benzimidazol-3-ium-2-yl)propanoic acid butyl ester IUPAC Name: butyl 3-(1H-benzimidazol-3-ium-2-yl)propanoate Traditional Name: 3-(1H-benzimidazol-3-ium-2-yl)propionic acid butyl ester Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CCCCOC(=O)CCC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C14H18N2O2/c1-2-3-10-18-14(17)9-8-13-15-11-6-4-5-7-12(11)16-13/h4-7H,2-3,8-10H2,1H3,(H,15,16)/p+1