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

Systemtic Name: 4-methylbenzenesulfonic acid; [4-(phenylmethyl)piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: (4-benzyl-4-piperidyl)-pyrrolidin-1-yl-methanone; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; [4-(phenylmethyl)-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: (4-benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone; 4-methylbenzenesulfonic acid Traditional Name: (4-benzyl-4-piperidyl)-pyrrolidino-methanone; tosylic acid Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O.C7H8O3S/c20-16(19-12-4-5-13-19)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;2-5H,1H3,(H,8,9,10)