1-azabicyclo[2.2.2]octan-2-ylazanium; docosylbenzene; chloride

Systemtic Name: 1-azabicyclo[2.2.2]octan-2-ylazanium; docosylbenzene; chloride Openeye Name: docosylbenzene; quinuclidin-2-ylammonium; chloride CAS Name: 1-azabicyclo[2.2.2]octan-2-ylammonium; docosylbenzene; chloride IUPAC Name: 1-azabicyclo[2.2.2]octan-2-ylazanium; docosylbenzene; chloride Traditional Name: behenylbenzene; quinuclidin-2-ylammonium; chloride Formula: C35H65ClN2 MolecularWeight: 549.357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1.C1CN2CCC1CC2[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1.C1CN2CCC1CC2[NH3+].[Cl-]

InChI

InChI=1S/C28H50.C7H14N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28;8-7-5-6-1-3-9(7)4-2-6;/h21,23-24,26-27H,2-20,22,25H2,1H3;6-7H,1-5,8H2;1H