4-methylbenzenesulfonic acid; 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-[2-(4-methyl-1-piperidyl)pyrimidin-4-yl]pyrrolidin-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-[2-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-2-pyrrolidinone IUPAC Name: 4-methylbenzenesulfonic acid; 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one Traditional Name: 1-[2-(4-methylpiperidino)pyrimidin-4-yl]-2-pyrrolidone; tosylic acid Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC=CC(=N2)N3CCCC3=O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=NC=CC(=N2)N3CCCC3=O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H20N4O.C7H8O3S/c1-11-5-9-17(10-6-11)14-15-7-4-12(16-14)18-8-2-3-13(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h4,7,11H,2-3,5-6,8-10H2,1H3;2-5H,1H3,(H,8,9,10)