1-(4-chloranylphenoxy)-3-(3-ethyl-2-propyl-benzimidazol-1-ium-1-yl)propan-2-ol

Systemtic Name: 1-(4-chloranylphenoxy)-3-(3-ethyl-2-propyl-benzimidazol-1-ium-1-yl)propan-2-ol Openeye Name: 1-(4-chlorophenoxy)-3-(3-ethyl-2-propyl-benzimidazol-1-ium-1-yl)propan-2-ol CAS Name: 1-(4-chlorophenoxy)-3-(3-ethyl-2-propyl-1-benzimidazol-1-iumyl)-2-propanol IUPAC Name: 1-(4-chlorophenoxy)-3-(3-ethyl-2-propylbenzimidazol-1-ium-1-yl)propan-2-ol Traditional Name: 1-(4-chlorophenoxy)-3-(3-ethyl-2-propyl-benzimidazol-1-ium-1-yl)propan-2-ol Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H26ClN2O2/c1-3-7-21-23(4-2)19-8-5-6-9-20(19)24(21)14-17(25)15-26-18-12-10-16(22)11-13-18/h5-6,8-13,17,25H,3-4,7,14-15H2,1-2H3/q+1