ethanedioic acid; 1-(3-oxidanylpropylamino)-3-phenothiazin-10-yl-propan-2-ol

Systemtic Name: ethanedioic acid; 1-(3-oxidanylpropylamino)-3-phenothiazin-10-yl-propan-2-ol Openeye Name: 1-(3-hydroxypropylamino)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid CAS Name: 1-(3-hydroxypropylamino)-3-(10-phenothiazinyl)-2-propanol; oxalic acid IUPAC Name: 1-(3-hydroxypropylamino)-3-phenothiazin-10-ylpropan-2-ol; oxalic acid Traditional Name: 1-(3-hydroxypropylamino)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(CNCCCO)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(CNCCCO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O2S.C2H2O4/c21-11-5-10-19-12-14(22)13-20-15-6-1-3-8-17(15)23-18-9-4-2-7-16(18)20;3-1(4)2(5)6/h1-4,6-9,14,19,21-22H,5,10-13H2;(H,3,4)(H,5,6)