3-[2-azanyl-3-[(2S)-2-oxidanyl-2-phenyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanyl-3-[(2S)-2-oxidanyl-2-phenyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-phenyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-phenylethyl]-1-benzimidazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-3-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-phenyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC=CC=C3)O

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C20H26N4O/c1-22(2)13-8-14-23-17-11-6-7-12-18(17)24(20(23)21)15-19(25)16-9-4-3-5-10-16/h3-7,9-12,19,21,25H,8,13-15H2,1-2H3/p+2/t19-/m1/s1