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

Systemtic Name: (5S)-1-cyclopropyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-cyclopropyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-cyclopropyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-cyclopropyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-cyclopropyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H23N5O2S+2 MolecularWeight: 325.42972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

C1CC1N2C(=O)[C@H](C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C14H21N5O2S/c20-12-11(9-16-5-8-18-6-3-15-4-7-18)13(21)19(10-1-2-10)14(22)17-12/h9-11,15H,1-8H2,(H,17,20,22)/p+2/t11-/m0/s1