(2R)-1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(4-chloranylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: (2R)-1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol CAS Name: (2R)-1-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-3-(4-chlorophenoxy)-2-propanol IUPAC Name: (2R)-1-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Traditional Name: (2R)-1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(COC3=CC=C(C=C3)Cl)O)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)C[C@H](COC3=CC=C(C=C3)Cl)O)N

InChI

InChI=1S/C17H18ClN3O2/c1-20-15-4-2-3-5-16(15)21(17(20)19)10-13(22)11-23-14-8-6-12(18)7-9-14/h2-9,13,19,22H,10-11H2,1H3/p+1/t13-/m1/s1