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

Systemtic Name: (5R)-1-methyl-3-phenyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-methyl-3-phenyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-methyl-3-phenyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-methyl-3-phenyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-methyl-3-phenyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H25N5O2S+2 MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=S)C2=CC=CC=C2)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CN1C(=O)[C@H](C(=O)N(C1=S)C2=CC=CC=C2)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C18H23N5O2S/c1-21-16(24)15(13-20-9-12-22-10-7-19-8-11-22)17(25)23(18(21)26)14-5-3-2-4-6-14/h2-6,13,15,19H,7-12H2,1H3/p+2/t15-/m1/s1