(2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoic acid

Systemtic Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoic acid Openeye Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoic acid CAS Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoic acid IUPAC Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butanoic acid Traditional Name: (2R)-2-[2-(4-aminophenyl)-3H-benzimidazol-1-ium-1-yl]butyric acid Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)N

Isomeric SMILES

CC[C@H](C(=O)O)[N+]1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)N

InChI

InChI=1S/C17H17N3O2/c1-2-14(17(21)22)20-15-6-4-3-5-13(15)19-16(20)11-7-9-12(18)10-8-11/h3-10,14H,2H2,1H3,(H3,18,19,21,22)/p+1/t14-/m1/s1