5-butoxy-2-chloranyl-3-(4-ethenylpyridin-2-yl)pyridine; 4-(iodanylmethyl)benzenesulfonic acid; N-methylmethanamine

Systemtic Name: 5-butoxy-2-chloranyl-3-(4-ethenylpyridin-2-yl)pyridine; 4-(iodanylmethyl)benzenesulfonic acid; N-methylmethanamine Openeye Name: 5-butoxy-2-chloro-3-(4-vinyl-2-pyridyl)pyridine; 4-(iodomethyl)benzenesulfonic acid; N-methylmethanamine CAS Name: 5-butoxy-2-chloro-3-(4-ethenyl-2-pyridinyl)pyridine; 4-(iodomethyl)benzenesulfonic acid; N-methylmethanamine IUPAC Name: 5-butoxy-2-chloro-3-(4-ethenylpyridin-2-yl)pyridine; 4-(iodomethyl)benzenesulfonic acid; N-methylmethanamine Traditional Name: 5-butoxy-2-chloro-3-(4-vinyl-2-pyridyl)pyridine; dimethylamine; 4-(iodomethyl)besylic acid Formula: C25H31ClIN3O4S MolecularWeight: 631.95381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(C(=C1)C2=NC=CC(=C2)C=C)Cl.CNC.C1=CC(=CC=C1CI)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CN=C(C(=C1)C2=NC=CC(=C2)C=C)Cl.CNC.C1=CC(=CC=C1CI)S(=O)(=O)O

InChI

InChI=1S/C16H17ClN2O.C7H7IO3S.C2H7N/c1-3-5-8-20-13-10-14(16(17)19-11-13)15-9-12(4-2)6-7-18-15;8-5-6-1-3-7(4-2-6)12(9,10)11;1-3-2/h4,6-7,9-11H,2-3,5,8H2,1H3;1-4H,5H2,(H,9,10,11);3H,1-2H3