1,4-dimethyl-1,4-bis(1-phenylpropan-2-yl)piperazine-1,4-diium; methyl sulfate

Systemtic Name: 1,4-dimethyl-1,4-bis(1-phenylpropan-2-yl)piperazine-1,4-diium; methyl sulfate Openeye Name: 1,4-dimethyl-1,4-bis(1-methyl-2-phenyl-ethyl)piperazine-1,4-diium; methyl sulfate CAS Name: 1,4-dimethyl-1,4-bis(1-phenylpropan-2-yl)piperazine-1,4-diium; methyl sulfate IUPAC Name: 1,4-dimethyl-1,4-bis(1-phenylpropan-2-yl)piperazine-1,4-diium; methyl sulfate Traditional Name: 1,4-dimethyl-1,4-bis(1-methyl-2-phenyl-ethyl)piperazine-1,4-diium; methyl sulfate Formula: C26H42N2O8S2 MolecularWeight: 574.75028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C(C)CC3=CC=CC=C3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C(C)CC3=CC=CC=C3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C24H36N2.2CH4O4S/c1-21(19-23-11-7-5-8-12-23)25(3)15-17-26(4,18-16-25)22(2)20-24-13-9-6-10-14-24;2*1-5-6(2,3)4/h5-14,21-22H,15-20H2,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2