(2S)-3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol CAS Name: (2S)-3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol IUPAC Name: (2S)-3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol Traditional Name: (2S)-3-[2-(4-aminophenyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)CC(CO)O

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)C[C@@H](CO)O

InChI

InChI=1S/C18H21N3O2/c1-11-7-16-17(8-12(11)2)21(9-15(23)10-22)18(20-16)13-3-5-14(19)6-4-13/h3-8,15,22-23H,9-10H2,1-2H3,(H2,19,20)/p+1/t15-/m0/s1