11-(1H-pyrazol-5-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium ethanoate

Systemtic Name: 11-(1H-pyrazol-5-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium ethanoate Openeye Name: 11-(1H-pyrazol-5-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium acetate CAS Name: 11-(1H-pyrazol-5-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium acetate IUPAC Name: 11-(1H-pyrazol-5-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium acetate Traditional Name: 11-(1H-pyrazol-5-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium acetate Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1C2=CC=CC=C2C(C3=CC=CC=[N+]31)C4=CC=NN4

Isomeric SMILES

CC(=O)[O-].C1C2=CC=CC=C2C(C3=CC=CC=[N+]31)C4=CC=NN4

InChI

InChI=1S/C16H14N3.C2H4O2/c1-2-6-13-12(5-1)11-19-10-4-3-7-15(19)16(13)14-8-9-17-18-14;1-2(3)4/h1-10,16H,11H2,(H,17,18);1H3,(H,3,4)/q+1;/p-1