1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol; ethanedioic acid Openeye Name: 1-[(E)-6,7-dihydro-5H-benzothiophen-4-ylideneamino]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol; oxalic acid CAS Name: 1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(4-methyl-1-piperazinyl)-2-propanol; oxalic acid IUPAC Name: 1-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol; oxalic acid Traditional Name: 1-[(E)-6,7-dihydro-5H-benzothiophen-4-ylideneamino]oxy-3-(4-methylpiperazino)propan-2-ol; oxalic acid Formula: C20H29N3O10S MolecularWeight: 503.52336

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CON=C2CCCC3=C2C=CS3)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(CO/N=C/2\CCCC3=C2C=CS3)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O2S.2C2H2O4/c1-18-6-8-19(9-7-18)11-13(20)12-21-17-15-3-2-4-16-14(15)5-10-22-16;2*3-1(4)2(5)6/h5,10,13,20H,2-4,6-9,11-12H2,1H3;2*(H,3,4)(H,5,6)/b17-15+;;