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

Systemtic Name: 1-ethyl-4-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-4-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-4-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-4-[(4-nitrophenyl)methyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-4-(4-nitrobenzyl)pyridin-1-ium tosylate Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H15N2O2.C7H8O3S/c1-2-15-9-7-13(8-10-15)11-12-3-5-14(6-4-12)16(17)18;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,2,11H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1