(2R)-2-[2-[(1R)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]butanoate

Systemtic Name: (2R)-2-[2-[(1R)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1R)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1R)-1-ammonio-3-methylbutyl]-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1R)-1-azaniumyl-3-methylbutyl]benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1R)-1-ammonio-3-methyl-butyl]benzimidazol-1-yl]butyrate Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC=CC=C2N=C1C(CC(C)C)[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1[C@@H](CC(C)C)[NH3+]

InChI

InChI=1S/C16H23N3O2/c1-4-13(16(20)21)19-14-8-6-5-7-12(14)18-15(19)11(17)9-10(2)3/h5-8,10-11,13H,4,9,17H2,1-3H3,(H,20,21)/t11-,13-/m1/s1