4-methylbenzenesulfonic acid; 1-piperazin-1-ylethanone

Systemtic Name: 4-methylbenzenesulfonic acid; 1-piperazin-1-ylethanone Openeye Name: 4-methylbenzenesulfonic acid; 1-piperazin-1-ylethanone CAS Name: 4-methylbenzenesulfonic acid; 1-(1-piperazinyl)ethanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-piperazin-1-ylethanone Traditional Name: 1-piperazinoethanone; tosylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)N1CCNCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)N1CCNCC1

InChI

InChI=1S/C7H8O3S.C6H12N2O/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(9)8-4-2-7-3-5-8/h2-5H,1H3,(H,8,9,10);7H,2-5H2,1H3