6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C17H30N5O4S+ MolecularWeight: 400.5162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H29N5O4S/c1-18-15(13-16(23)19(2)17(18)24)14-20-9-11-22(12-10-20)27(25,26)21-7-5-3-4-6-8-21/h13H,3-12,14H2,1-2H3/p+1