ethanedioic acid; 4-[[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methyl]phenol

Systemtic Name: ethanedioic acid; 4-[[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methyl]phenol Openeye Name: 4-[[[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]methyl]phenol; oxalic acid CAS Name: 4-[[[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]methyl]phenol; oxalic acid IUPAC Name: 4-[[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]methyl]phenol; oxalic acid Traditional Name: 4-[[[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]methyl]phenol; oxalic acid Formula: C24H31N3O13S MolecularWeight: 601.58024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNCC2=CC=C(C=C2)O)C3=CC=CS3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(CNCC2=CC=C(C=C2)O)C3=CC=CS3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3OS.3C2H2O4/c1-20-8-10-21(11-9-20)17(18-3-2-12-23-18)14-19-13-15-4-6-16(22)7-5-15;3*3-1(4)2(5)6/h2-7,12,17,19,22H,8-11,13-14H2,1H3;3*(H,3,4)(H,5,6)