4-[4-(phenylcarbonyl)piperazin-1-yl]-2,5-di(propan-2-yloxy)benzenediazonium sulfate

Systemtic Name: 4-[4-(phenylcarbonyl)piperazin-1-yl]-2,5-di(propan-2-yloxy)benzenediazonium sulfate Openeye Name: 4-(4-benzoylpiperazin-1-yl)-2,5-diisopropoxy-benzenediazonium sulfate CAS Name: 4-(4-benzoyl-1-piperazinyl)-2,5-di(propan-2-yloxy)benzenediazonium sulfate IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-2,5-di(propan-2-yloxy)benzenediazonium sulfate Traditional Name: 4-(4-benzoylpiperazino)-2,5-diisopropoxy-benzenediazonium sulfate Formula: C46H58N8O10S MolecularWeight: 915.06532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1[N+]#N)OC(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3.CC(C)OC1=CC(=C(C=C1[N+]#N)OC(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1[N+]#N)OC(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3.CC(C)OC1=CC(=C(C=C1[N+]#N)OC(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C23H29N4O3.H2O4S/c2*1-16(2)29-21-15-20(22(30-17(3)4)14-19(21)25-24)26-10-12-27(13-11-26)23(28)18-8-6-5-7-9-18;1-5(2,3)4/h2*5-9,14-17H,10-13H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2