1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-isopropylbenzyl)piperazine-1,4-diium Formula: C20H31N5O2+2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-15(2)19-7-5-18(6-8-19)13-22-9-11-23(12-10-22)14-24-17(4)20(25(26)27)16(3)21-24/h5-8,15H,9-14H2,1-4H3/p+2