(5R)-1-cyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-1-cyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-cyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-cyclohexyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-cyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-cyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H29N5O2S+2 MolecularWeight: 367.50946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

C1CCC(CC1)N2C(=O)[C@@H](C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C17H27N5O2S/c23-15-14(12-19-8-11-21-9-6-18-7-10-21)16(24)22(17(25)20-15)13-4-2-1-3-5-13/h12-14,18H,1-11H2,(H,20,23,25)/p+2/t14-/m1/s1