3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Openeye Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-4-quinazolinone IUPAC Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C17H19N4O3S2+ MolecularWeight: 391.48776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N4O3S2/c22-17-14-4-1-2-5-15(14)18-12-20(17)13-19-7-9-21(10-8-19)26(23,24)16-6-3-11-25-16/h1-6,11-12H,7-10,13H2/p+1