1-[4-[4-[(5-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-nitro-1-indazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(5-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C20H21N5O3/c1-15(26)16-2-4-18(5-3-16)23-10-8-22(9-11-23)14-24-20-7-6-19(25(27)28)12-17(20)13-21-24/h2-7,12-13H,8-11,14H2,1H3/p+1