5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C18H30N5O5S+ MolecularWeight: 428.5263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H29N5O5S/c1-19-13-15(17(25)20(2)18(19)26)29(27,28)23-11-9-21(10-12-23)14-16(24)22-7-5-3-4-6-8-22/h13H,3-12,14H2,1-2H3/p+1