2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C23H27N4O5S+ MolecularWeight: 471.54928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H26N4O5S/c1-16-4-2-5-18-22(16)24-21(25-23(18)28)15-26-8-10-27(11-9-26)33(29,30)17-6-7-19-20(14-17)32-13-3-12-31-19/h2,4-7,14H,3,8-13,15H2,1H3,(H,24,25,28)/p+1