3-[2-(6-chloranyl-4-ethoxycarbonyl-quinolin-2-yl)phenothiazin-10-yl]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[2-(6-chloranyl-4-ethoxycarbonyl-quinolin-2-yl)phenothiazin-10-yl]propyl-dimethyl-azanium chloride Openeye Name: 3-[2-(6-chloro-4-ethoxycarbonyl-2-quinolyl)phenothiazin-10-yl]propyl-dimethyl-ammonium chloride CAS Name: 3-[2-(6-chloro-4-ethoxycarbonyl-2-quinolinyl)-10-phenothiazinyl]propyl-dimethylammonium chloride IUPAC Name: 3-[2-(6-chloro-4-ethoxycarbonylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride Traditional Name: 3-[2-(4-carbethoxy-6-chloro-2-quinolyl)phenothiazin-10-yl]propyl-dimethyl-ammonium chloride Formula: C29H29Cl2N3O2S MolecularWeight: 554.53046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCC[NH+](C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C29H28ClN3O2S.ClH/c1-4-35-29(34)22-18-24(31-23-12-11-20(30)17-21(22)23)19-10-13-28-26(16-19)33(15-7-14-32(2)3)25-8-5-6-9-27(25)36-28;/h5-6,8-13,16-18H,4,7,14-15H2,1-3H3;1H