methanesulfonic acid; 1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine

Systemtic Name: methanesulfonic acid; 1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine Openeye Name: methanesulfonic acid; 1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine CAS Name: methanesulfonic acid; 1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine IUPAC Name: methanesulfonic acid; 1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine Traditional Name: mesylic acid; 1-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazine Formula: C22H34N2O9S2 MolecularWeight: 534.64336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC=C(C=C2)CN3CCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC=C(C=C2)CN3CCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H26N2O3.2CH4O3S/c1-23-18-12-17(13-19(24-2)20(18)25-3)16-6-4-15(5-7-16)14-22-10-8-21-9-11-22;2*1-5(2,3)4/h4-7,12-13,21H,8-11,14H2,1-3H3;2*1H3,(H,2,3,4)