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

Systemtic Name: 1-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol chloride Openeye Name: 1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol chloride CAS Name: 1-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-3-phenoxy-2-propanol chloride IUPAC Name: 1-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-3-phenoxypropan-2-ol chloride Traditional Name: 1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-phenoxy-propan-2-ol chloride Formula: C19H22ClN3O2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(COC3=CC=CC=C3)O)N.[Cl-]

Isomeric SMILES

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(COC3=CC=CC=C3)O)N.[Cl-]

InChI

InChI=1S/C19H21N3O2.ClH/c1-2-12-21-17-10-6-7-11-18(17)22(19(21)20)13-15(23)14-24-16-8-4-3-5-9-16;/h2-11,15,20,23H,1,12-14H2;1H