5-[6-(1,4-diazepan-1-yl)pyridin-3-yl]-2,3-dimethoxy-phenol; methanesulfonic acid

Systemtic Name: 5-[6-(1,4-diazepan-1-yl)pyridin-3-yl]-2,3-dimethoxy-phenol; methanesulfonic acid Openeye Name: 5-[6-(1,4-diazepan-1-yl)-3-pyridyl]-2,3-dimethoxy-phenol; methanesulfonic acid CAS Name: 5-[6-(1,4-diazepan-1-yl)-3-pyridinyl]-2,3-dimethoxyphenol; methanesulfonic acid IUPAC Name: 5-[6-(1,4-diazepan-1-yl)pyridin-3-yl]-2,3-dimethoxyphenol; methanesulfonic acid Traditional Name: 5-[6-(1,4-diazepan-1-yl)-3-pyridyl]-2,3-dimethoxy-phenol; mesylic acid Formula: C20H31N3O9S2 MolecularWeight: 521.60484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)C2=CN=C(C=C2)N3CCCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)C2=CN=C(C=C2)N3CCCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

InChI

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