(2S)-1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-3-(4-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H25N3O2/c1-18-11-13-21(14-12-18)29-17-20(28)16-27-23-10-6-5-9-22(23)26(24(27)25)15-19-7-3-2-4-8-19/h2-14,20,25,28H,15-17H2,1H3/p+1/t20-/m0/s1