(2R)-1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3-(2-methylphenoxy)propan-2-ol Openeye Name: (2R)-1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol CAS Name: (2R)-1-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-3-(2-methylphenoxy)-2-propanol IUPAC Name: (2R)-1-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Traditional Name: (2R)-1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@@H](CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H25N3O2/c1-18-9-5-8-14-23(18)29-17-20(28)16-27-22-13-7-6-12-21(22)26(24(27)25)15-19-10-3-2-4-11-19/h2-14,20,25,28H,15-17H2,1H3/p+1/t20-/m1/s1