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

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-thiochromen-4-one Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-thiochromen-4-one CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-1-benzothiopyran-4-one IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-methylthiochromen-4-one Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-thiochromen-4-one Formula: C16H21N2OS+ MolecularWeight: 289.41574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS/c1-3-17-6-8-18(9-7-17)14-11-20-15-5-4-12(2)10-13(15)16(14)19/h4-5,10-11H,3,6-9H2,1-2H3/p+1