4-methylbenzenesulfonic acid; 4-(6-piperidin-1-ylhexyl)morpholine-3,5-dione

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(6-piperidin-1-ylhexyl)morpholine-3,5-dione Openeye Name: 4-methylbenzenesulfonic acid; 4-[6-(1-piperidyl)hexyl]morpholine-3,5-dione CAS Name: 4-methylbenzenesulfonic acid; 4-[6-(1-piperidinyl)hexyl]morpholine-3,5-dione IUPAC Name: 4-methylbenzenesulfonic acid; 4-(6-piperidin-1-ylhexyl)morpholine-3,5-dione Traditional Name: 4-(6-piperidinohexyl)morpholine-3,5-quinone; tosylic acid Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)CCCCCCN2C(=O)COCC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)CCCCCCN2C(=O)COCC2=O

InChI

InChI=1S/C15H26N2O3.C7H8O3S/c18-14-12-20-13-15(19)17(14)11-7-2-1-4-8-16-9-5-3-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-13H2;2-5H,1H3,(H,8,9,10)