4-methylbenzenesulfonic acid; 1-pyridin-3-ylpyrrolidin-1-ium-1-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-pyridin-3-ylpyrrolidin-1-ium-1-amine Openeye Name: 4-methylbenzenesulfonic acid; 1-(3-pyridyl)pyrrolidin-1-ium-1-amine CAS Name: 4-methylbenzenesulfonic acid; 1-(3-pyridinyl)-1-pyrrolidin-1-iumamine IUPAC Name: 4-methylbenzenesulfonic acid; 1-pyridin-3-ylpyrrolidin-1-ium-1-amine Traditional Name: [1-(3-pyridyl)pyrrolidin-1-ium-1-yl]amine; tosylic acid Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N3.C7H8O3S/c10-12(6-1-2-7-12)9-4-3-5-11-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,8H,1-2,6-7,10H2;2-5H,1H3,(H,8,9,10)/q+1;