1-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride

Systemtic Name: 1-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Openeye Name: 1-(2-amino-3-hexadecyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride CAS Name: 1-(2-amino-3-hexadecyl-1-benzimidazol-1-iumyl)-3-phenoxy-2-propanol chloride IUPAC Name: 1-(2-amino-3-hexadecylbenzimidazol-1-ium-1-yl)-3-phenoxypropan-2-ol chloride Traditional Name: 1-(2-amino-3-cetyl-benzimidazol-1-ium-1-yl)-3-phenoxy-propan-2-ol chloride Formula: C32H50ClN3O2 MolecularWeight: 544.2113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C32H49N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-34-30-23-18-19-24-31(30)35(32(34)33)26-28(36)27-37-29-21-16-15-17-22-29;/h15-19,21-24,28,33,36H,2-14,20,25-27H2,1H3;1H