2-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid

Systemtic Name: 2-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 2-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C24H29BrN2O5 MolecularWeight: 505.40146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27BrN2O.C2H2O4/c1-26-22-7-6-20(23)14-19(22)15-24-11-9-21(10-12-24)25-13-8-17-4-2-3-5-18(17)16-25;3-1(4)2(5)6/h2-7,14,21H,8-13,15-16H2,1H3;(H,3,4)(H,5,6)