methyl hydrogen sulfate; 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazin-1-yl]pyrimidine

Systemtic Name: methyl hydrogen sulfate; 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazin-1-yl]pyrimidine Openeye Name: methyl hydrogen sulfate; 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-(2-methyl-3,3,3-triphenylpropyl)-1-piperazinyl]pyrimidine; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 2-[4-(2-methyl-3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazino]pyrimidine; sulfuric acid methyl ester Formula: C32H40N4O8S2 MolecularWeight: 672.812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=NC=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.COS(=O)(=O)O.COS(=O)(=O)O

Isomeric SMILES

CC(CN1CCN(CC1)C2=NC=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.COS(=O)(=O)O.COS(=O)(=O)O

InChI

InChI=1S/C30H32N4.2CH4O4S/c1-25(24-33-20-22-34(23-21-33)29-31-18-11-19-32-29)30(26-12-5-2-6-13-26,27-14-7-3-8-15-27)28-16-9-4-10-17-28;2*1-5-6(2,3)4/h2-19,25H,20-24H2,1H3;2*1H3,(H,2,3,4)