ethyl-(3-methylbutyl)-[4-(4-nitrophenyl)butyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-(3-methylbutyl)-[4-(4-nitrophenyl)butyl]azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-isopentyl-[4-(4-nitrophenyl)butyl]ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-(3-methylbutyl)-[4-(4-nitrophenyl)butyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-(3-methylbutyl)-[4-(4-nitrophenyl)butyl]azanium; 4-methylbenzenesulfonate Traditional Name: ethyl-isoamyl-[4-(4-nitrophenyl)butyl]ammonium tosylate Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCCC1=CC=C(C=C1)[N+](=O)[O-])CCC(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CCCCC1=CC=C(C=C1)[N+](=O)[O-])CCC(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H28N2O2.C7H8O3S/c1-4-18(14-12-15(2)3)13-6-5-7-16-8-10-17(11-9-16)19(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h8-11,15H,4-7,12-14H2,1-3H3;2-5H,1H3,(H,8,9,10)