1-(dodecoxymethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium chloride

Systemtic Name: 1-(dodecoxymethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium chloride Openeye Name: 1-(dodecoxymethyl)-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium chloride CAS Name: 1-(dodecoxymethyl)-3-[2-(1-piperidinyl)ethyl]benzimidazol-1-ium chloride IUPAC Name: 1-(dodecoxymethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium chloride Traditional Name: 1-(lauryloxymethyl)-3-(2-piperidinoethyl)benzimidazol-1-ium chloride Formula: C27H46ClN3O MolecularWeight: 464.12664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC[N+]1=CN(C2=CC=CC=C21)CCN3CCCCC3.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC[N+]1=CN(C2=CC=CC=C21)CCN3CCCCC3.[Cl-]

InChI

InChI=1S/C27H46N3O.ClH/c1-2-3-4-5-6-7-8-9-10-16-23-31-25-30-24-29(26-17-12-13-18-27(26)30)22-21-28-19-14-11-15-20-28;/h12-13,17-18,24H,2-11,14-16,19-23,25H2,1H3;1H/q+1;/p-1