dimethyl-[5-(4-nitrophenyl)pentyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[5-(4-nitrophenyl)pentyl]azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[5-(4-nitrophenyl)pentyl]ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[5-(4-nitrophenyl)pentyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[5-(4-nitrophenyl)pentyl]azanium; 4-methylbenzenesulfonate Traditional Name: dimethyl-[5-(4-nitrophenyl)pentyl]ammonium tosylate Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)CCCCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)CCCCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O2.C7H8O3S/c1-14(2)11-5-3-4-6-12-7-9-13(10-8-12)15(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h7-10H,3-6,11H2,1-2H3;2-5H,1H3,(H,8,9,10)