2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(furan-2-yl)ethanol chloride

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(furan-2-yl)ethanol chloride Openeye Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(2-furyl)ethanol chloride CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-(2-furanyl)ethanol chloride IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-1-(furan-2-yl)ethanol chloride Traditional Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(2-furyl)ethanol chloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC=CO3)O)N.[Cl-]

Isomeric SMILES

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC=CO3)O)N.[Cl-]

InChI

InChI=1S/C16H17N3O2.ClH/c1-2-9-18-12-6-3-4-7-13(12)19(16(18)17)11-14(20)15-8-5-10-21-15;/h2-8,10,14,17,20H,1,9,11H2;1H