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

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethyl-benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethyl-benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1S)-1-ammonioethyl]-5,6-dimethyl-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethylbenzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1S)-1-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=C1C(C)[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=C(C=C(C(=C2)C)C)N=C1[C@H](C)[NH3+]

InChI

InChI=1S/C15H21N3O2/c1-5-12(15(19)20)18-13-7-9(3)8(2)6-11(13)17-14(18)10(4)16/h6-7,10,12H,5,16H2,1-4H3,(H,19,20)/t10-,12+/m0/s1