3-(2-ethanoylphenothiazin-10-yl)propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-(2-ethanoylphenothiazin-10-yl)propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-(2-acetylphenothiazin-10-yl)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-(2-acetyl-10-phenothiazinyl)propyl-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-(2-acetylphenothiazin-10-yl)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-(2-acetylphenothiazin-10-yl)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC[NH+](C)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H22N2OS.C4H4O4/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;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-