2-chloranyl-5-ethyl-benzo[c]cinnolin-5-ium; ethyl sulfate

Systemtic Name: 2-chloranyl-5-ethyl-benzo[c]cinnolin-5-ium; ethyl sulfate Openeye Name: 2-chloro-5-ethyl-benzo[c]cinnolin-5-ium; ethyl sulfate CAS Name: 2-chloro-5-ethylbenzo[c]cinnolin-5-ium; ethyl sulfate IUPAC Name: 2-chloro-5-ethylbenzo[c]cinnolin-5-ium; ethyl sulfate Traditional Name: 2-chloro-5-ethyl-benzo[c]cinnolin-5-ium; ethyl sulfate Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC2=CC=CC=C2C3=C1C=CC(=C3)Cl.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=NC2=CC=CC=C2C3=C1C=CC(=C3)Cl.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C14H12ClN2.C2H6O4S/c1-2-17-14-8-7-10(15)9-12(14)11-5-3-4-6-13(11)16-17;1-2-6-7(3,4)5/h3-9H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1