azepan-1-yl-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid

Systemtic Name: azepan-1-yl-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: azepan-1-yl-[1-[(5-bromo-2-methoxy-phenyl)methyl]-3-piperidyl]methanone; oxalic acid CAS Name: 1-azepanyl-[1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: azepan-1-yl-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: azepan-1-yl-[1-(5-bromo-2-methoxy-benzyl)-3-piperidyl]methanone; oxalic acid Formula: C22H31BrN2O6 MolecularWeight: 499.39534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29BrN2O2.C2H2O4/c1-25-19-9-8-18(21)13-17(19)15-22-10-6-7-16(14-22)20(24)23-11-4-2-3-5-12-23;3-1(4)2(5)6/h8-9,13,16H,2-7,10-12,14-15H2,1H3;(H,3,4)(H,5,6)