2-but-1-ynyl-4-methoxy-pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-but-1-ynyl-4-methoxy-pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-but-1-ynyl-4-methoxy-pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-but-1-ynyl-4-methoxy-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-but-1-ynyl-4-methoxypyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (2-but-1-ynyl-4-methoxy-pyridin-1-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=[N+](C=CC(=C1)OC)N.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

Isomeric SMILES

CCC#CC1=[N+](C=CC(=C1)OC)N.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

InChI

InChI=1S/C10H13N2O.C9H12O3S/c1-3-4-5-9-8-10(13-2)6-7-12(9)11;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h6-8H,3,11H2,1-2H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1