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

Systemtic Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(3-methoxyphenyl)-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H25N5O3S+2 MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)[C@H](C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C18H23N5O3S/c1-26-14-4-2-3-13(11-14)23-17(25)15(16(24)21-18(23)27)12-20-7-10-22-8-5-19-6-9-22/h2-4,11-12,15,19H,5-10H2,1H3,(H,21,24,27)/p+2/t15-/m0/s1