(5S)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(4-isopropylphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-p-cumenyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)[C@H](C(=O)NC2=S)C=NCC[NH+]3CCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-15(2)16-6-8-17(9-7-16)25-20(27)18(19(26)23-21(25)28)14-22-10-13-24-11-4-3-5-12-24/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,23,26,28)/p+1/t18-/m0/s1