3-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]propanoate CAS Name: 3-[2-[4-(ammoniomethyl)phenyl]-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[2-[4-(ammoniomethyl)phenyl]benzimidazol-1-yl]propionate Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C17H17N3O2/c18-11-12-5-7-13(8-6-12)17-19-14-3-1-2-4-15(14)20(17)10-9-16(21)22/h1-8H,9-11,18H2,(H,21,22)