1,3-dimethyl-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]pyrimidine-2,4-quinone Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H26N4O4S/c1-15-5-7-17(8-6-15)28(26,27)23-10-4-9-22(11-12-23)14-16-13-18(24)21(3)19(25)20(16)2/h5-8,13H,4,9-12,14H2,1-3H3/p+1