5,6-dimethoxy-2-[2-methyl-1-(phenylmethyl)piperidin-4-yl]-2,3-dihydroinden-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 5,6-dimethoxy-2-[2-methyl-1-(phenylmethyl)piperidin-4-yl]-2,3-dihydroinden-1-one; 4-methylbenzenesulfonic acid Openeye Name: 2-(1-benzyl-2-methyl-4-piperidyl)-5,6-dimethoxy-indan-1-one; 4-methylbenzenesulfonic acid CAS Name: 5,6-dimethoxy-2-[2-methyl-1-(phenylmethyl)-4-piperidinyl]-2,3-dihydroinden-1-one; 4-methylbenzenesulfonic acid IUPAC Name: 2-(1-benzyl-2-methylpiperidin-4-yl)-5,6-dimethoxy-2,3-dihydroinden-1-one; 4-methylbenzenesulfonic acid Traditional Name: 2-(1-benzyl-2-methyl-4-piperidyl)-5,6-dimethoxy-indan-1-one; tosylic acid Formula: C31H37NO6S MolecularWeight: 551.69358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CC2=CC=CC=C2)C3CC4=CC(=C(C=C4C3=O)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CC(CCN1CC2=CC=CC=C2)C3CC4=CC(=C(C=C4C3=O)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H29NO3.C7H8O3S/c1-16-11-18(9-10-25(16)15-17-7-5-4-6-8-17)20-12-19-13-22(27-2)23(28-3)14-21(19)24(20)26;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,13-14,16,18,20H,9-12,15H2,1-3H3;2-5H,1H3,(H,8,9,10)