2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H23N4O3S+ MolecularWeight: 435.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H22N4O3S/c28-23-20-7-3-4-8-21(20)24-22(25-23)16-26-11-13-27(14-12-26)31(29,30)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2,(H,24,25,28)/p+1