3-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]propanoate CAS Name: 3-[2-[(1S)-1-ammonio-3-methylbutyl]-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[(1S)-1-azaniumyl-3-methylbutyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[2-[(1S)-1-ammonio-3-methyl-butyl]benzimidazol-1-yl]propionate Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2N1CCC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NC2=CC=CC=C2N1CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C15H21N3O2/c1-10(2)9-11(16)15-17-12-5-3-4-6-13(12)18(15)8-7-14(19)20/h3-6,10-11H,7-9,16H2,1-2H3,(H,19,20)/t11-/m0/s1