1-butyl-3-prop-2-enyl-benzimidazol-3-ium chloride

Systemtic Name: 1-butyl-3-prop-2-enyl-benzimidazol-3-ium chloride Openeye Name: 1-allyl-3-butyl-benzimidazol-1-ium chloride CAS Name: 1-butyl-3-prop-2-enylbenzimidazol-3-ium chloride IUPAC Name: 1-butyl-3-prop-2-enylbenzimidazol-3-ium chloride Traditional Name: 1-allyl-3-butyl-benzimidazol-1-ium chloride Formula: C14H19ClN2 MolecularWeight: 250.76706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC=CC=C21)CC=C.[Cl-]

Isomeric SMILES

CCCCN1C=[N+](C2=CC=CC=C21)CC=C.[Cl-]

InChI

InChI=1S/C14H19N2.ClH/c1-3-5-11-16-12-15(10-4-2)13-8-6-7-9-14(13)16;/h4,6-9,12H,2-3,5,10-11H2,1H3;1H/q+1;/p-1