3-phenyl-7-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-phenyl-7-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-phenyl-7-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-phenyl-7-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-phenyl-7-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-phenyl-7-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C21H22N4O3S3+2 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H20N4O3S3/c26-19-13-17(22-21-25(19)18(15-30-21)16-5-2-1-3-6-16)14-23-8-10-24(11-9-23)31(27,28)20-7-4-12-29-20/h1-7,12-13,15H,8-11,14H2/p+2