(2S)-3-[2-(aminomethyl)-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[2-(aminomethyl)-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[2-(aminomethyl)-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol CAS Name: (2S)-3-[2-(aminomethyl)-5,6-dimethoxy-1-benzimidazolyl]propane-1,2-diol IUPAC Name: (2S)-3-[2-(aminomethyl)-5,6-dimethoxybenzimidazol-1-yl]propane-1,2-diol Traditional Name: (2S)-3-[2-(aminomethyl)-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC(CO)O)CN)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2C[C@@H](CO)O)CN)OC

InChI

InChI=1S/C13H19N3O4/c1-19-11-3-9-10(4-12(11)20-2)16(6-8(18)7-17)13(5-14)15-9/h3-4,8,17-18H,5-7,14H2,1-2H3/t8-/m0/s1