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

Systemtic Name: (2R)-1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: (2R)-1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol CAS Name: (2R)-1-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-3-(4-chlorophenoxy)-2-propanol IUPAC Name: (2R)-1-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Traditional Name: (2R)-1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)C[C@H](COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H24ClN3O2/c1-2-3-12-23-18-6-4-5-7-19(18)24(20(23)22)13-16(25)14-26-17-10-8-15(21)9-11-17/h4-11,16,22,25H,2-3,12-14H2,1H3/p+1/t16-/m1/s1