4-methylbenzenesulfonic acid; N-[4-(phenylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-[4-(phenylmethyl)piperidin-4-yl]pyrrolidine-1-carboxamide Openeye Name: N-(4-benzyl-4-piperidyl)pyrrolidine-1-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-[4-(phenylmethyl)-4-piperidinyl]-1-pyrrolidinecarboxamide IUPAC Name: N-(4-benzylpiperidin-4-yl)pyrrolidine-1-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-(4-benzyl-4-piperidyl)pyrrolidine-1-carboxamide; tosylic acid Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)C(=O)NC2(CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)C(=O)NC2(CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O.C7H8O3S/c21-16(20-12-4-5-13-20)19-17(8-10-18-11-9-17)14-15-6-2-1-3-7-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,18H,4-5,8-14H2,(H,19,21);2-5H,1H3,(H,8,9,10)