1-(heptoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride

Systemtic Name: 1-(heptoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride Openeye Name: 1-benzyl-3-(heptoxymethyl)benzimidazol-1-ium chloride CAS Name: 1-(heptoxymethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride IUPAC Name: 1-benzyl-3-(heptoxymethyl)benzimidazol-1-ium chloride Traditional Name: 1-benzyl-3-(heptoxymethyl)benzimidazol-1-ium chloride Formula: C22H29ClN2O MolecularWeight: 372.93146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCOCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H29N2O.ClH/c1-2-3-4-5-11-16-25-19-24-18-23(17-20-12-7-6-8-13-20)21-14-9-10-15-22(21)24;/h6-10,12-15,18H,2-5,11,16-17,19H2,1H3;1H/q+1;/p-1