N,N-diethyl-2-pyridin-1-ium-1-yl-ethanamine; 4-methylbenzenesulfonate

Systemtic Name: N,N-diethyl-2-pyridin-1-ium-1-yl-ethanamine; 4-methylbenzenesulfonate Openeye Name: N,N-diethyl-2-pyridin-1-ium-1-yl-ethanamine; 4-methylbenzenesulfonate CAS Name: N,N-diethyl-2-(1-pyridin-1-iumyl)ethanamine; 4-methylbenzenesulfonate IUPAC Name: N,N-diethyl-2-pyridin-1-ium-1-ylethanamine; 4-methylbenzenesulfonate Traditional Name: diethyl(2-pyridin-1-ium-1-ylethyl)amine tosylate Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N2.C7H8O3S/c1-3-12(4-2)10-11-13-8-6-5-7-9-13;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,3-4,10-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1