6-chloranyl-4-methyl-1-(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)thioxanthen-9-one

Systemtic Name: 6-chloranyl-4-methyl-1-(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)thioxanthen-9-one Openeye Name: 6-chloro-4-methyl-1-(4-methyl-1-oxido-piperazin-1-ium-1-yl)thioxanthen-9-one CAS Name: 6-chloro-4-methyl-1-(4-methyl-1-oxido-1-piperazin-1-iumyl)-9-thioxanthenone IUPAC Name: 6-chloro-4-methyl-1-(4-methyl-1-oxidopiperazin-1-ium-1-yl)thioxanthen-9-one Traditional Name: 6-chloro-4-methyl-1-(4-methyl-1-oxido-piperazin-1-ium-1-yl)thioxanthen-9-one Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)[N+]3(CCN(CC3)C)[O-])C(=O)C4=C(S2)C=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)[N+]3(CCN(CC3)C)[O-])C(=O)C4=C(S2)C=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN2O2S/c1-12-3-6-15(22(24)9-7-21(2)8-10-22)17-18(23)14-5-4-13(20)11-16(14)25-19(12)17/h3-6,11H,7-10H2,1-2H3