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

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-quinazoline-2,4-dione Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-quinazoline-2,4-dione CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-methylquinazoline-2,4-dione IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methylquinazoline-2,4-dione Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-quinazoline-2,4-quinone Formula: C23H27N4O6S+ MolecularWeight: 487.54868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H26N4O6S/c1-24-22(28)18-5-2-3-6-19(18)27(23(24)29)16-25-9-11-26(12-10-25)34(30,31)17-7-8-20-21(15-17)33-14-4-13-32-20/h2-3,5-8,15H,4,9-14,16H2,1H3/p+1