ethane-1,2-disulfonic acid; (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine

Systemtic Name: ethane-1,2-disulfonic acid; (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine Openeye Name: ethane-1,2-disulfonic acid; (E,2S)-5-(5-isopropoxy-3-pyridyl)-N-methyl-pent-4-en-2-amine CAS Name: ethane-1,2-disulfonic acid; (E,2S)-N-methyl-5-(5-propan-2-yloxy-3-pyridinyl)-4-penten-2-amine IUPAC Name: ethane-1,2-disulfonic acid; (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine Traditional Name: ethane-1,2-disulfonic acid; [(E,1S)-4-(5-isopropoxy-3-pyridyl)-1-methyl-but-3-enyl]-methyl-amine Formula: C16H28N2O7S2 MolecularWeight: 424.53272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CN=CC(=C1)C=CCC(C)NC.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H22N2O.C2H6O6S2/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4;3-9(4,5)1-2-10(6,7)8/h5,7-12,15H,6H2,1-4H3;1-2H2,(H,3,4,5)(H,6,7,8)/b7-5+;/t12-;/m0./s1