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

Systemtic Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one Openeye Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one CAS Name: 6-methyl-3-(4-methyl-1-piperazin-4-iumyl)-1-benzothiopyran-4-one IUPAC Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one Traditional Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)thiochromen-4-one Formula: C15H19N2OS+ MolecularWeight: 275.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C(C2=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C(C2=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C15H18N2OS/c1-11-3-4-14-12(9-11)15(18)13(10-19-14)17-7-5-16(2)6-8-17/h3-4,9-10H,5-8H2,1-2H3/p+1