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

Systemtic Name: 1-(6-chloranylpyridin-3-yl)pyrrolidin-1-ium-1-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(6-chloro-3-pyridyl)pyrrolidin-1-ium-1-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(6-chloro-3-pyridinyl)-1-pyrrolidin-1-iumamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(6-chloropyridin-3-yl)pyrrolidin-1-ium-1-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(6-chloro-3-pyridyl)pyrrolidin-1-ium-1-yl]amine; tosylic acid Formula: C16H21ClN3O3S+ MolecularWeight: 370.87424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC[N+](C1)(C2=CN=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC[N+](C1)(C2=CN=C(C=C2)Cl)N

InChI

InChI=1S/C9H13ClN3.C7H8O3S/c10-9-4-3-8(7-12-9)13(11)5-1-2-6-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7H,1-2,5-6,11H2;2-5H,1H3,(H,8,9,10)/q+1;