2-(5-nitroindazol-1-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(5-nitroindazol-1-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-nitroindazol-1-yl)ethanone CAS Name: 2-(5-nitro-1-indazolyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-nitroindazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-nitroindazol-1-yl)ethanone Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C20H21N5O3/c26-20(15-24-19-7-6-18(25(27)28)12-17(19)13-21-24)23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2/p+1