methanesulfonic acid; 1-[5-(3,4,5-trimethoxyphenyl)pyridin-2-yl]piperazine

Systemtic Name: methanesulfonic acid; 1-[5-(3,4,5-trimethoxyphenyl)pyridin-2-yl]piperazine Openeye Name: methanesulfonic acid; 1-[5-(3,4,5-trimethoxyphenyl)-2-pyridyl]piperazine CAS Name: methanesulfonic acid; 1-[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]piperazine IUPAC Name: methanesulfonic acid; 1-[5-(3,4,5-trimethoxyphenyl)pyridin-2-yl]piperazine Traditional Name: mesylic acid; 1-[5-(3,4,5-trimethoxyphenyl)-2-pyridyl]piperazine Formula: C20H31N3O9S2 MolecularWeight: 521.60484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CN=C(C=C2)N3CCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CN=C(C=C2)N3CCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H23N3O3.2CH4O3S/c1-22-15-10-14(11-16(23-2)18(15)24-3)13-4-5-17(20-12-13)21-8-6-19-7-9-21;2*1-5(2,3)4/h4-5,10-12,19H,6-9H2,1-3H3;2*1H3,(H,2,3,4)