4-methylbenzenesulfonic acid; N-[4-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-[4-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(4-benzyl-4-piperidyl)acetamide; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-[4-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(4-benzylpiperidin-4-yl)acetamide; 4-methylbenzenesulfonic acid Traditional Name: N-(4-benzyl-4-piperidyl)acetamide; tosylic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1(CCNCC1)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1(CCNCC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O.C7H8O3S/c1-12(17)16-14(7-9-15-10-8-14)11-13-5-3-2-4-6-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,15H,7-11H2,1H3,(H,16,17);2-5H,1H3,(H,8,9,10)