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

Systemtic Name: 1-(decoxymethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium chloride Openeye Name: 1-(decoxymethyl)-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium chloride CAS Name: 1-(decoxymethyl)-3-[2-(1-piperidinyl)ethyl]benzimidazol-1-ium chloride IUPAC Name: 1-(decoxymethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium chloride Traditional Name: 1-(decoxymethyl)-3-(2-piperidinoethyl)benzimidazol-1-ium chloride Formula: C25H42ClN3O MolecularWeight: 436.07348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N3O.ClH/c1-2-3-4-5-6-7-8-14-21-29-23-28-22-27(24-15-10-11-16-25(24)28)20-19-26-17-12-9-13-18-26;/h10-11,15-16,22H,2-9,12-14,17-21,23H2,1H3;1H/q+1;/p-1