N-(4-bromophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine; ethanedioic acid

Systemtic Name: N-(4-bromophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine; ethanedioic acid Openeye Name: N-(4-bromophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine; oxalic acid CAS Name: N-(4-bromophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidinamine; oxalic acid IUPAC Name: N-(4-bromophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine; oxalic acid Traditional Name: (4-bromophenyl)-[1-(2,3,4-trimethoxybenzyl)-4-piperidyl]amine; oxalic acid Formula: C23H29BrN2O7 MolecularWeight: 525.38956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCC(CC2)NC3=CC=C(C=C3)Br)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCC(CC2)NC3=CC=C(C=C3)Br)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27BrN2O3.C2H2O4/c1-25-19-9-4-15(20(26-2)21(19)27-3)14-24-12-10-18(11-13-24)23-17-7-5-16(22)6-8-17;3-1(4)2(5)6/h4-9,18,23H,10-14H2,1-3H3;(H,3,4)(H,5,6)