2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H21N4O3S2+ MolecularWeight: 441.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H20N4O3S2/c26-21-20-18(7-12-29-20)22-19(23-21)14-24-8-10-25(11-9-24)30(27,28)17-6-5-15-3-1-2-4-16(15)13-17/h1-7,12-13H,8-11,14H2,(H,22,23,26)/p+1