1-(6-chloranylpyridin-3-yl)-N,N-dimethyl-pyrrolidin-1-ium-1-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(6-chloranylpyridin-3-yl)-N,N-dimethyl-pyrrolidin-1-ium-1-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(6-chloro-3-pyridyl)-N,N-dimethyl-pyrrolidin-1-ium-1-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(6-chloro-3-pyridinyl)-N,N-dimethyl-1-pyrrolidin-1-iumamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(6-chloropyridin-3-yl)-N,N-dimethylpyrrolidin-1-ium-1-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(6-chloro-3-pyridyl)pyrrolidin-1-ium-1-yl]-dimethyl-amine; tosylic acid Formula: C18H25ClN3O3S+ MolecularWeight: 398.9274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)[N+]1(CCCC1)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)[N+]1(CCCC1)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C11H17ClN3.C7H8O3S/c1-14(2)15(7-3-4-8-15)10-5-6-11(12)13-9-10;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,3-4,7-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;