[[4-(2,2-dimethylpropyl)phenyl]methyl-dimethyl-azaniumyl]methanesulfonate

Systemtic Name: [[4-(2,2-dimethylpropyl)phenyl]methyl-dimethyl-azaniumyl]methanesulfonate Openeye Name: [[4-(2,2-dimethylpropyl)phenyl]methyl-dimethyl-ammonio]methanesulfonate CAS Name: [[4-(2,2-dimethylpropyl)phenyl]methyl-dimethylammonio]methanesulfonate IUPAC Name: [[4-(2,2-dimethylpropyl)phenyl]methyl-dimethylazaniumyl]methanesulfonate Traditional Name: [dimethyl-(4-neopentylbenzyl)ammonio]methanesulfonate Formula: C15H25NO3S MolecularWeight: 299.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CS(=O)(=O)[O-]

InChI

InChI=1S/C15H25NO3S/c1-15(2,3)10-13-6-8-14(9-7-13)11-16(4,5)12-20(17,18)19/h6-9H,10-12H2,1-5H3