[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone; ethanedioic acid

Systemtic Name: [1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone; ethanedioic acid Openeye Name: [1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-4-piperidyl]-(3-methyl-1-piperidyl)methanone; oxalic acid CAS Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidinyl]-(3-methyl-1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone; oxalic acid Traditional Name: [1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-4-piperidyl]-(3-methylpiperidino)methanone; oxalic acid Formula: C22H31BrN2O7 MolecularWeight: 515.39474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CCN(CC2)CC3=CC(=C(C(=C3)Br)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)C(=O)C2CCN(CC2)CC3=CC(=C(C(=C3)Br)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29BrN2O3.C2H2O4/c1-14-4-3-7-23(12-14)20(25)16-5-8-22(9-6-16)13-15-10-17(21)19(24)18(11-15)26-2;3-1(4)2(5)6/h10-11,14,16,24H,3-9,12-13H2,1-2H3;(H,3,4)(H,5,6)