1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]azepane; ethanedioic acid

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]azepane; ethanedioic acid Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]azepane; oxalic acid Formula: C21H31BrN2O5 MolecularWeight: 471.38524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29BrN2O.C2H2O4/c1-23-19-7-6-17(20)14-16(19)15-21-12-8-18(9-13-21)22-10-4-2-3-5-11-22;3-1(4)2(5)6/h6-7,14,18H,2-5,8-13,15H2,1H3;(H,3,4)(H,5,6)