4-[(2,6-dinitrophenyl)methyl]-1-ethyl-quinolin-1-ium; ethanesulfonate

Systemtic Name: 4-[(2,6-dinitrophenyl)methyl]-1-ethyl-quinolin-1-ium; ethanesulfonate Openeye Name: 4-[(2,6-dinitrophenyl)methyl]-1-ethyl-quinolin-1-ium; ethanesulfonate CAS Name: 4-[(2,6-dinitrophenyl)methyl]-1-ethylquinolin-1-ium; ethanesulfonate IUPAC Name: 4-[(2,6-dinitrophenyl)methyl]-1-ethylquinolin-1-ium; ethanesulfonate Traditional Name: 4-(2,6-dinitrobenzyl)-1-ethyl-quinolin-1-ium esylate Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)CC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-].CCS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)CC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-].CCS(=O)(=O)[O-]

InChI

InChI=1S/C18H16N3O4.C2H6O3S/c1-2-19-11-10-13(14-6-3-4-7-16(14)19)12-15-17(20(22)23)8-5-9-18(15)21(24)25;1-2-6(3,4)5/h3-11H,2,12H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1