ethanedioic acid; 2-[(2-oxidanyl-3-phenothiazin-10-yl-propyl)amino]butan-1-ol

Systemtic Name: ethanedioic acid; 2-[(2-oxidanyl-3-phenothiazin-10-yl-propyl)amino]butan-1-ol Openeye Name: 2-[(2-hydroxy-3-phenothiazin-10-yl-propyl)amino]butan-1-ol; oxalic acid CAS Name: 2-[[2-hydroxy-3-(10-phenothiazinyl)propyl]amino]-1-butanol; oxalic acid IUPAC Name: 2-[(2-hydroxy-3-phenothiazin-10-ylpropyl)amino]butan-1-ol; oxalic acid Traditional Name: 2-[(2-hydroxy-3-phenothiazin-10-yl-propyl)amino]butan-1-ol; oxalic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC(CN1C2=CC=CC=C2SC3=CC=CC=C31)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CO)NCC(CN1C2=CC=CC=C2SC3=CC=CC=C31)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O2S.C2H2O4/c1-2-14(13-22)20-11-15(23)12-21-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)21;3-1(4)2(5)6/h3-10,14-15,20,22-23H,2,11-13H2,1H3;(H,3,4)(H,5,6)