4-methylbenzenesulfonic acid; [4-(phenylmethyl)piperidin-4-yl]-piperidin-1-yl-methanone

Systemtic Name: 4-methylbenzenesulfonic acid; [4-(phenylmethyl)piperidin-4-yl]-piperidin-1-yl-methanone Openeye Name: (4-benzyl-4-piperidyl)-(1-piperidyl)methanone; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; [4-(phenylmethyl)-4-piperidinyl]-(1-piperidinyl)methanone IUPAC Name: (4-benzylpiperidin-4-yl)-piperidin-1-ylmethanone; 4-methylbenzenesulfonic acid Traditional Name: (4-benzyl-4-piperidyl)-piperidino-methanone; tosylic acid Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C(=O)C2(CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C(=O)C2(CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N2O.C7H8O3S/c21-17(20-13-5-2-6-14-20)18(9-11-19-12-10-18)15-16-7-3-1-4-8-16;1-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,7-8,19H,2,5-6,9-15H2;2-5H,1H3,(H,8,9,10)