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

Systemtic Name: (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine; naphthalene-1,5-disulfonic acid Openeye Name: (E,2S)-5-(5-isopropoxy-3-pyridyl)-N-methyl-pent-4-en-2-amine; naphthalene-1,5-disulfonic acid CAS Name: (E,2S)-N-methyl-5-(5-propan-2-yloxy-3-pyridinyl)-4-penten-2-amine; naphthalene-1,5-disulfonic acid IUPAC Name: (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine; naphthalene-1,5-disulfonic acid Traditional Name: [(E,1S)-4-(5-isopropoxy-3-pyridyl)-1-methyl-but-3-enyl]-methyl-amine; naphthalene-1,5-disulfonic acid Formula: C24H30N2O7S2 MolecularWeight: 522.6342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CN=CC(=C1)C=CCC(C)NC.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C14H22N2O.C10H8O6S2/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h5,7-12,15H,6H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)/b7-5+;/t12-;/m0./s1