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

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxy-benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxy-benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1S)-1-ammonioethyl]-5,6-dimethoxy-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumylethyl]-5,6-dimethoxybenzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammonioethyl]-5,6-dimethoxy-benzimidazol-1-yl]butyrate Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-5-10(15(19)20)18-11-7-13(22-4)12(21-3)6-9(11)17-14(18)8(2)16/h6-8,10H,5,16H2,1-4H3,(H,19,20)/t8-,10+/m0/s1