1-butyl-2-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-butyl-2-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-butyl-2-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-butyl-2-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-butyl-2-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-butyl-2-(4-nitrobenzyl)pyridin-1-ium tosylate Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1CC2=CC=C(C=C2)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=CC=CC=C1CC2=CC=C(C=C2)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H19N2O2.C7H8O3S/c1-2-3-11-17-12-5-4-6-16(17)13-14-7-9-15(10-8-14)18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,12H,2-3,11,13H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1