(6-chloranyl-2-methoxy-acridin-9-yl)-[3-(2-chloroethylsulfanyl)propyl]azanium chloride

Systemtic Name: (6-chloranyl-2-methoxy-acridin-9-yl)-[3-(2-chloroethylsulfanyl)propyl]azanium chloride Openeye Name: 3-(2-chloroethylsulfanyl)propyl-(6-chloro-2-methoxy-acridin-9-yl)ammonium chloride CAS Name: 3-(2-chloroethylthio)propyl-(6-chloro-2-methoxy-9-acridinyl)ammonium chloride IUPAC Name: 3-(2-chloroethylsulfanyl)propyl-(6-chloro-2-methoxyacridin-9-yl)azanium chloride Traditional Name: 3-(2-chloroethylthio)propyl-(6-chloro-2-methoxy-acridin-9-yl)ammonium chloride Formula: C19H21Cl3N2OS MolecularWeight: 431.80684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CCCSCCCl.[Cl-]

Isomeric SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CCCSCCCl.[Cl-]

InChI

InChI=1S/C19H20Cl2N2OS.ClH/c1-24-14-4-6-17-16(12-14)19(22-8-2-9-25-10-7-20)15-5-3-13(21)11-18(15)23-17;/h3-6,11-12H,2,7-10H2,1H3,(H,22,23);1H