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

Systemtic Name: (2R)-2-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-(2-azaniumylethyl)-5,6-dimethyl-benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-(2-ammonioethyl)-5,6-dimethyl-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-(2-azaniumylethyl)-5,6-dimethylbenzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-(2-ammonioethyl)-5,6-dimethyl-benzimidazol-1-yl]butyrate Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=C(C(=C2)C)C)N=C1CC[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=C(C=C(C(=C2)C)C)N=C1CC[NH3+]

InChI

InChI=1S/C15H21N3O2/c1-4-12(15(19)20)18-13-8-10(3)9(2)7-11(13)17-14(18)5-6-16/h7-8,12H,4-6,16H2,1-3H3,(H,19,20)/t12-/m1/s1