ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium

Systemtic Name: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium Openeye Name: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium CAS Name: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium IUPAC Name: ethanesulfonate; 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium Traditional Name: 1-ethyl-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]quinolin-1-ium esylate Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=CC=CC3=CC=C(C=C3)[N+](=O)[O-].CCS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)[N+](=O)[O-].CCS(=O)(=O)[O-]

InChI

InChI=1S/C21H19N2O2.C2H6O3S/c1-2-22-19(16-13-18-8-4-6-10-21(18)22)9-5-3-7-17-11-14-20(15-12-17)23(24)25;1-2-6(3,4)5/h3-16H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/b7-3+,9-5+;