1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-amine chloride

Systemtic Name: 1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-amine chloride Openeye Name: 1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-amine chloride CAS Name: 1-(2-phenoxyethyl)-3-propyl-2-benzimidazol-3-iumamine chloride IUPAC Name: 1-(2-phenoxyethyl)-3-propylbenzimidazol-3-ium-2-amine chloride Traditional Name: [1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-yl]amine chloride Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C18H21N3O.ClH/c1-2-12-20-16-10-6-7-11-17(16)21(18(20)19)13-14-22-15-8-4-3-5-9-15;/h3-11,19H,2,12-14H2,1H3;1H