1-butan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-butan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: oxalic acid; 1-sec-butyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine CAS Name: 1-butan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-butan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: oxalic acid; 1-sec-butyl-4-(3,4,5-trimethoxybenzyl)piperazine Formula: C20H32N2O7 MolecularWeight: 412.47728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H30N2O3.C2H2O4/c1-6-14(2)20-9-7-19(8-10-20)13-15-11-16(21-3)18(23-5)17(12-15)22-4;3-1(4)2(5)6/h11-12,14H,6-10,13H2,1-5H3;(H,3,4)(H,5,6)