2-(3-methoxyprop-1-ynyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-(3-methoxyprop-1-ynyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-(3-methoxyprop-1-ynyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-(3-methoxyprop-1-ynyl)-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-(3-methoxyprop-1-ynyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: [2-(3-methoxyprop-1-ynyl)pyridin-1-ium-1-yl]amine; 2,4,6-trimethylbesylate Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.COCC#CC1=CC=CC=[N+]1N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.COCC#CC1=CC=CC=[N+]1N

InChI

InChI=1S/C9H11N2O.C9H12O3S/c1-12-8-4-6-9-5-2-3-7-11(9)10;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-3,5,7H,8,10H2,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1