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

Systemtic Name: (2S)-1-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[2-amino-3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[2-amino-3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[2-amino-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[2-amino-3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(COC4=CC=CC=C4)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)C[C@@H](COC4=CC=CC=C4)O)N

InChI

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