3-(1-methylpyrrolidin-2-yl)-1-octyl-pyridin-1-ium chloride

Systemtic Name: 3-(1-methylpyrrolidin-2-yl)-1-octyl-pyridin-1-ium chloride Openeye Name: 3-(1-methylpyrrolidin-2-yl)-1-octyl-pyridin-1-ium chloride CAS Name: 3-(1-methyl-2-pyrrolidinyl)-1-octylpyridin-1-ium chloride IUPAC Name: 3-(1-methylpyrrolidin-2-yl)-1-octylpyridin-1-ium chloride Traditional Name: 3-(1-methylpyrrolidin-2-yl)-1-octyl-pyridin-1-ium chloride Formula: C18H31ClN2 MolecularWeight: 310.90514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[Cl-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[Cl-]

InChI

InChI=1S/C18H31N2.ClH/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2;/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3;1H/q+1;/p-1