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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazine-1,4-diium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-piperonyl-piperazine-1,4-diium Formula: C18H25N5O4+2 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4/c1-13-18(23(24)25)14(2)22(19-13)11-21-7-5-20(6-8-21)10-15-3-4-16-17(9-15)27-12-26-16/h3-4,9H,5-8,10-12H2,1-2H3/p+2