1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-nitro-indazole

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-nitro-indazole Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-nitro-indazole CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-nitroindazole IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-nitroindazole Traditional Name: 5-nitro-1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]indazole Formula: C20H23N5O4+2 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C=N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C=N4

InChI

InChI=1S/C20H21N5O4/c26-25(27)17-2-3-18-16(10-17)11-21-24(18)13-23-7-5-22(6-8-23)12-15-1-4-19-20(9-15)29-14-28-19/h1-4,9-11H,5-8,12-14H2/p+2