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

Systemtic Name: 2-methyl-1-(nonoxymethyl)-3-prop-2-enyl-benzimidazol-3-ium chloride Openeye Name: 1-allyl-2-methyl-3-(nonoxymethyl)benzimidazol-1-ium chloride CAS Name: 2-methyl-1-(nonoxymethyl)-3-prop-2-enylbenzimidazol-3-ium chloride IUPAC Name: 2-methyl-1-(nonoxymethyl)-3-prop-2-enylbenzimidazol-3-ium chloride Traditional Name: 1-allyl-2-methyl-3-(nonoxymethyl)benzimidazol-1-ium chloride Formula: C21H33ClN2O MolecularWeight: 364.95252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCN1C(=[N+](C2=CC=CC=C21)CC=C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCOCN1C(=[N+](C2=CC=CC=C21)CC=C)C.[Cl-]

InChI

InChI=1S/C21H33N2O.ClH/c1-4-6-7-8-9-10-13-17-24-18-23-19(3)22(16-5-2)20-14-11-12-15-21(20)23;/h5,11-12,14-15H,2,4,6-10,13,16-18H2,1,3H3;1H/q+1;/p-1