4-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-chloranyl-2-methyl-butan-2-amine; methanesulfonate

Systemtic Name: 4-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-chloranyl-2-methyl-butan-2-amine; methanesulfonate Openeye Name: N-chloro-2-methyl-4-quinuclidin-1-ium-1-yl-butan-2-amine; methanesulfonate CAS Name: 4-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-chloro-2-methyl-2-butanamine; methanesulfonate IUPAC Name: 4-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-chloro-2-methylbutan-2-amine; methanesulfonate Traditional Name: chloro-(1,1-dimethyl-3-quinuclidin-1-ium-1-yl-propyl)amine mesylate Formula: C13H27ClN2O3S MolecularWeight: 326.88308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC[N+]12CCC(CC1)CC2)NCl.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(CC[N+]12CCC(CC1)CC2)NCl.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H24ClN2.CH4O3S/c1-12(2,14-13)6-10-15-7-3-11(4-8-15)5-9-15;1-5(2,3)4/h11,14H,3-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1