(2R)-2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[4-(ammoniomethyl)phenyl]-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[4-(azaniumylmethyl)phenyl]benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[4-(ammoniomethyl)phenyl]benzimidazol-1-yl]butyrate Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C18H19N3O2/c1-2-15(18(22)23)21-16-6-4-3-5-14(16)20-17(21)13-9-7-12(11-19)8-10-13/h3-10,15H,2,11,19H2,1H3,(H,22,23)/t15-/m1/s1