1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone citrate CAS Name: 1-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]ethanone; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone citrate Formula: C25H27N2O8S-3 MolecularWeight: 515.55548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C19H22N2OS.C6H8O7/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,7-10,13H,6,11-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3