N,N'-dimethyl-2-(3,4,5-trimethoxyphenyl)hexane-1,6-diamine; methanesulfonic acid

Systemtic Name: N,N'-dimethyl-2-(3,4,5-trimethoxyphenyl)hexane-1,6-diamine; methanesulfonic acid Openeye Name: N,N'-dimethyl-2-(3,4,5-trimethoxyphenyl)hexane-1,6-diamine; methanesulfonic acid CAS Name: N,N'-dimethyl-2-(3,4,5-trimethoxyphenyl)hexane-1,6-diamine; methanesulfonic acid IUPAC Name: N,N'-dimethyl-2-(3,4,5-trimethoxyphenyl)hexane-1,6-diamine; methanesulfonic acid Traditional Name: mesylic acid; methyl-[6-(methylamino)-2-(3,4,5-trimethoxyphenyl)hexyl]amine Formula: C19H38N2O9S2 MolecularWeight: 502.64302

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC(CNC)C1=CC(=C(C(=C1)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CNCCCCC(CNC)C1=CC(=C(C(=C1)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C17H30N2O3.2CH4O3S/c1-18-9-7-6-8-13(12-19-2)14-10-15(20-3)17(22-5)16(11-14)21-4;2*1-5(2,3)4/h10-11,13,18-19H,6-9,12H2,1-5H3;2*1H3,(H,2,3,4)