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

Systemtic Name: 1-(2-azanyl-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol CAS Name: 1-(2-amino-3-hexyl-1-benzimidazol-1-iumyl)-3-(4-chlorophenoxy)-2-propanol IUPAC Name: 1-(2-amino-3-hexylbenzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Traditional Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H28ClN3O2/c1-2-3-4-7-14-25-20-8-5-6-9-21(20)26(22(25)24)15-18(27)16-28-19-12-10-17(23)11-13-19/h5-6,8-13,18,24,27H,2-4,7,14-16H2,1H3/p+1