4-[6-[4-[bis(4-methoxyphenyl)methyl]piperidin-1-yl]hexyl]morpholine-3,5-dione; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[6-[4-[bis(4-methoxyphenyl)methyl]piperidin-1-yl]hexyl]morpholine-3,5-dione; 4-methylbenzenesulfonic acid Openeye Name: 4-[6-[4-[bis(4-methoxyphenyl)methyl]-1-piperidyl]hexyl]morpholine-3,5-dione; 4-methylbenzenesulfonic acid CAS Name: 4-[6-[4-[bis(4-methoxyphenyl)methyl]-1-piperidinyl]hexyl]morpholine-3,5-dione; 4-methylbenzenesulfonic acid IUPAC Name: 4-[6-[4-[bis(4-methoxyphenyl)methyl]piperidin-1-yl]hexyl]morpholine-3,5-dione; 4-methylbenzenesulfonic acid Traditional Name: 4-[6-[4-[bis(4-methoxyphenyl)methyl]piperidino]hexyl]morpholine-3,5-quinone; tosylic acid Formula: C37H48N2O8S MolecularWeight: 680.85062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)C(C2CCN(CC2)CCCCCCN3C(=O)COCC3=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)C(C2CCN(CC2)CCCCCCN3C(=O)COCC3=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H40N2O5.C7H8O3S/c1-35-26-11-7-23(8-12-26)30(24-9-13-27(36-2)14-10-24)25-15-19-31(20-16-25)17-5-3-4-6-18-32-28(33)21-37-22-29(32)34;1-6-2-4-7(5-3-6)11(8,9)10/h7-14,25,30H,3-6,15-22H2,1-2H3;2-5H,1H3,(H,8,9,10)