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

Systemtic Name: 3-[2-(4-ethoxycarbonyl-6-methyl-quinolin-2-yl)phenothiazin-10-yl]propyl-dimethyl-azanium chloride Openeye Name: 3-[2-(4-ethoxycarbonyl-6-methyl-2-quinolyl)phenothiazin-10-yl]propyl-dimethyl-ammonium chloride CAS Name: 3-[2-(4-ethoxycarbonyl-6-methyl-2-quinolinyl)-10-phenothiazinyl]propyl-dimethylammonium chloride IUPAC Name: 3-[2-(4-ethoxycarbonyl-6-methylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride Traditional Name: 3-[2-(4-carbethoxy-6-methyl-2-quinolyl)phenothiazin-10-yl]propyl-dimethyl-ammonium chloride Formula: C30H32ClN3O2S MolecularWeight: 534.11198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2S.ClH/c1-5-35-30(34)23-19-25(31-24-13-11-20(2)17-22(23)24)21-12-14-29-27(18-21)33(16-8-15-32(3)4)26-9-6-7-10-28(26)36-29;/h6-7,9-14,17-19H,5,8,15-16H2,1-4H3;1H