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

Systemtic Name: azetidin-1-yl-[4-(phenylmethyl)piperidin-4-yl]methanone; 4-methylbenzenesulfonic acid Openeye Name: azetidin-1-yl-(4-benzyl-4-piperidyl)methanone; 4-methylbenzenesulfonic acid CAS Name: 1-azetidinyl-[4-(phenylmethyl)-4-piperidinyl]methanone; 4-methylbenzenesulfonic acid IUPAC Name: azetidin-1-yl-(4-benzylpiperidin-4-yl)methanone; 4-methylbenzenesulfonic acid Traditional Name: azetidin-1-yl-(4-benzyl-4-piperidyl)methanone; tosylic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C1)C(=O)C2(CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C1)C(=O)C2(CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N2O.C7H8O3S/c19-15(18-11-4-12-18)16(7-9-17-10-8-16)13-14-5-2-1-3-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,17H,4,7-13H2;2-5H,1H3,(H,8,9,10)