4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanamine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanamine Openeye Name: 4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanamine CAS Name: 4-methylbenzenesulfonic acid; 2-(1-piperazinyl)ethanamine IUPAC Name: 4-methylbenzenesulfonic acid; 2-piperazin-1-ylethanamine Traditional Name: 2-piperazinoethylamine; tosylic acid Formula: C13H23N3O3S MolecularWeight: 301.40502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1)CCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1)CCN

InChI

InChI=1S/C7H8O3S.C6H15N3/c1-6-2-4-7(5-3-6)11(8,9)10;7-1-4-9-5-2-8-3-6-9/h2-5H,1H3,(H,8,9,10);8H,1-7H2