(2-bromophenyl)methyl-diethyl-methyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: (2-bromophenyl)methyl-diethyl-methyl-azanium; 4-methylbenzenesulfonate Openeye Name: (2-bromophenyl)methyl-diethyl-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: (2-bromophenyl)methyl-diethyl-methylammonium; 4-methylbenzenesulfonate IUPAC Name: (2-bromophenyl)methyl-diethyl-methylazanium; 4-methylbenzenesulfonate Traditional Name: (2-bromobenzyl)-diethyl-methyl-ammonium tosylate Formula: C19H26BrNO3S MolecularWeight: 428.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H19BrN.C7H8O3S/c1-4-14(3,5-2)10-11-8-6-7-9-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,4-5,10H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1