methanesulfonic acid; 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazin-1-yl]pyrazine

Systemtic Name: methanesulfonic acid; 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazin-1-yl]pyrazine Openeye Name: methanesulfonic acid; 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazin-1-yl]pyrazine CAS Name: methanesulfonic acid; 2-[4-(2-methyl-3,3,3-triphenylpropyl)-1-piperazinyl]pyrazine IUPAC Name: methanesulfonic acid; 2-[4-(2-methyl-3,3,3-triphenylpropyl)piperazin-1-yl]pyrazine Traditional Name: mesylic acid; 2-[4-(2-methyl-3,3,3-triphenyl-propyl)piperazino]pyrazine Formula: C32H40N4O6S2 MolecularWeight: 640.8132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=NC=CN=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(CN1CCN(CC1)C2=NC=CN=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C30H32N4.2CH4O3S/c1-25(24-33-19-21-34(22-20-33)29-23-31-17-18-32-29)30(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;2*1-5(2,3)4/h2-18,23,25H,19-22,24H2,1H3;2*1H3,(H,2,3,4)