(2S)-1-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C23H23ClN3O2+ MolecularWeight: 408.90062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O2/c24-18-12-10-17(11-13-18)14-26-21-8-4-5-9-22(21)27(23(26)25)15-19(28)16-29-20-6-2-1-3-7-20/h1-13,19,25,28H,14-16H2/p+1/t19-/m0/s1