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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-pyridin-3-ylpyrrolidin-3-amine Openeye Name: 4-methylbenzenesulfonic acid; 1-(3-pyridyl)pyrrolidin-3-amine CAS Name: 4-methylbenzenesulfonic acid; 1-(3-pyridinyl)-3-pyrrolidinamine IUPAC Name: 4-methylbenzenesulfonic acid; 1-pyridin-3-ylpyrrolidin-3-amine Traditional Name: [1-(3-pyridyl)pyrrolidin-3-yl]amine; tosylic acid Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=CN=CC=C2

InChI

InChI=1S/C9H13N3.2C7H8O3S/c10-8-3-5-12(7-8)9-2-1-4-11-6-9;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-2,4,6,8H,3,5,7,10H2;2*2-5H,1H3,(H,8,9,10)