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

Systemtic Name: [1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone; ethanedioic acid Openeye Name: [1-[(5-bromo-2-methoxy-phenyl)methyl]-3-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(5-bromo-2-methoxy-benzyl)-3-piperidyl]-piperidino-methanone; oxalic acid Formula: C21H29BrN2O6 MolecularWeight: 485.36876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27BrN2O2.C2H2O4/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22;3-1(4)2(5)6/h7-8,12,15H,2-6,9-11,13-14H2,1H3;(H,3,4)(H,5,6)