2-methyl-1-(octoxymethyl)-3-prop-2-enyl-benzimidazol-3-ium chloride

Systemtic Name: 2-methyl-1-(octoxymethyl)-3-prop-2-enyl-benzimidazol-3-ium chloride Openeye Name: 1-allyl-2-methyl-3-(octoxymethyl)benzimidazol-1-ium chloride CAS Name: 2-methyl-1-(octoxymethyl)-3-prop-2-enylbenzimidazol-3-ium chloride IUPAC Name: 2-methyl-1-(octoxymethyl)-3-prop-2-enylbenzimidazol-3-ium chloride Traditional Name: 1-allyl-2-methyl-3-(octoxymethyl)benzimidazol-1-ium chloride Formula: C20H31ClN2O MolecularWeight: 350.92594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C(=[N+](C2=CC=CC=C21)CC=C)C.[Cl-]

Isomeric SMILES

CCCCCCCCOCN1C(=[N+](C2=CC=CC=C21)CC=C)C.[Cl-]

InChI

InChI=1S/C20H31N2O.ClH/c1-4-6-7-8-9-12-16-23-17-22-18(3)21(15-5-2)19-13-10-11-14-20(19)22;/h5,10-11,13-14H,2,4,6-9,12,15-17H2,1,3H3;1H/q+1;/p-1