6-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one

Systemtic Name: 6-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one Openeye Name: 6-chloro-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one CAS Name: 6-chloro-3-(4-methyl-1-piperazin-4-iumyl)-1-benzothiopyran-4-one IUPAC Name: 6-chloro-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one Traditional Name: 6-chloro-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one Formula: C14H16ClN2OS+ MolecularWeight: 295.80764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C14H15ClN2OS/c1-16-4-6-17(7-5-16)12-9-19-13-3-2-10(15)8-11(13)14(12)18/h2-3,8-9H,4-7H2,1H3/p+1