benzo[b]acridin-12-yl-[3-(2-chloroethylsulfanyl)propyl]azanium chloride

Systemtic Name: benzo[b]acridin-12-yl-[3-(2-chloroethylsulfanyl)propyl]azanium chloride Openeye Name: benzo[b]acridin-12-yl-[3-(2-chloroethylsulfanyl)propyl]ammonium chloride CAS Name: 12-benzo[b]acridinyl-[3-(2-chloroethylthio)propyl]ammonium chloride IUPAC Name: benzo[b]acridin-12-yl-[3-(2-chloroethylsulfanyl)propyl]azanium chloride Traditional Name: benz[b]acridin-12-yl-[3-(2-chloroethylthio)propyl]ammonium chloride Formula: C22H22Cl2N2S MolecularWeight: 417.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C(=C4C=CC=CC4=N3)[NH2+]CCCSCCCl.[Cl-]

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C(=C4C=CC=CC4=N3)[NH2+]CCCSCCCl.[Cl-]

InChI

InChI=1S/C22H21ClN2S.ClH/c23-10-13-26-12-5-11-24-22-18-8-3-4-9-20(18)25-21-15-17-7-2-1-6-16(17)14-19(21)22;/h1-4,6-9,14-15H,5,10-13H2,(H,24,25);1H