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

Systemtic Name: 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C21H22N4O3S2+2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H20N4O3S2/c26-20-14-18(22-21-25(20)11-12-29-21)15-23-7-9-24(10-8-23)30(27,28)19-6-5-16-3-1-2-4-17(16)13-19/h1-6,11-14H,7-10,15H2/p+2