[4-(3,3-dimethylbutan-2-yl)phenyl]methyl-dimethyl-(sulfomethyl)azanium

Systemtic Name: [4-(3,3-dimethylbutan-2-yl)phenyl]methyl-dimethyl-(sulfomethyl)azanium Openeye Name: dimethyl-(sulfomethyl)-[[4-(1,2,2-trimethylpropyl)phenyl]methyl]ammonium CAS Name: [4-(3,3-dimethylbutan-2-yl)phenyl]methyl-dimethyl-(sulfomethyl)ammonium IUPAC Name: [4-(3,3-dimethylbutan-2-yl)phenyl]methyl-dimethyl-(sulfomethyl)azanium Traditional Name: dimethyl-(sulfomethyl)-[4-(1,2,2-trimethylpropyl)benzyl]ammonium Formula: C16H28NO3S+ MolecularWeight: 314.46342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3S/c1-13(16(2,3)4)15-9-7-14(8-10-15)11-17(5,6)12-21(18,19)20/h7-10,13H,11-12H2,1-6H3/p+1