1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-[(5-nitro-1-indazolyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanone Formula: C20H29N6O3+ MolecularWeight: 401.48266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C20H28N6O3/c1-16-4-2-3-7-24(16)20(27)14-22-8-10-23(11-9-22)15-25-19-6-5-18(26(28)29)12-17(19)13-21-25/h5-6,12-13,16H,2-4,7-11,14-15H2,1H3/p+1/t16-/m0/s1