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

Systemtic Name: 1-(2-azanyl-3-pentyl-benzimidazol-1-ium-1-yl)-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: 1-(2-amino-3-pentyl-benzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol CAS Name: 1-(2-amino-3-pentyl-1-benzimidazol-1-iumyl)-3-(4-chlorophenoxy)-2-propanol IUPAC Name: 1-(2-amino-3-pentylbenzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Traditional Name: 1-(2-amino-3-amyl-benzimidazol-1-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H26ClN3O2/c1-2-3-6-13-24-19-7-4-5-8-20(19)25(21(24)23)14-17(26)15-27-18-11-9-16(22)10-12-18/h4-5,7-12,17,23,26H,2-3,6,13-15H2,1H3/p+1