(2R)-2-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-(3-azaniumylpropyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-(3-ammoniopropyl)-5,6-dimethyl-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-(3-azaniumylpropyl)-5,6-dimethylbenzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-(3-ammoniopropyl)-5,6-dimethyl-benzimidazol-1-yl]butyrate Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=C(C(=C2)C)C)N=C1CCC[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=C(C=C(C(=C2)C)C)N=C1CCC[NH3+]

InChI

InChI=1S/C16H23N3O2/c1-4-13(16(20)21)19-14-9-11(3)10(2)8-12(14)18-15(19)6-5-7-17/h8-9,13H,4-7,17H2,1-3H3,(H,20,21)/t13-/m1/s1