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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1C(CC)C(=O)[O-])C=C(C(=C2)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=C(N1[C@H](CC)C(=O)[O-])C=C(C(=C2)C)C)[NH3+]

InChI

InChI=1S/C16H23N3O2/c1-5-11(17)15-18-12-7-9(3)10(4)8-14(12)19(15)13(6-2)16(20)21/h7-8,11,13H,5-6,17H2,1-4H3,(H,20,21)/t11-,13+/m0/s1