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

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumylpropyl]-5,6-dimethoxy-benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumylpropyl]-5,6-dimethoxy-benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1S)-1-ammoniopropyl]-5,6-dimethoxy-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumylpropyl]-5,6-dimethoxybenzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammoniopropyl]-5,6-dimethoxy-benzimidazol-1-yl]butyrate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC(=C(C=C2N1C(CC)C(=O)[O-])OC)OC)[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=CC(=C(C=C2N1[C@H](CC)C(=O)[O-])OC)OC)[NH3+]

InChI

InChI=1S/C16H23N3O4/c1-5-9(17)15-18-10-7-13(22-3)14(23-4)8-12(10)19(15)11(6-2)16(20)21/h7-9,11H,5-6,17H2,1-4H3,(H,20,21)/t9-,11+/m0/s1