(5S)-1-methyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-methyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-methyl-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)NC1=S)C=NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)[C@H](C(=O)NC1=S)C=NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2S/c1-21-17(24)15(16(23)20-18(21)25)11-19-14-7-9-22(10-8-14)12-13-5-3-2-4-6-13/h2-6,11,14-15H,7-10,12H2,1H3,(H,20,23,25)/p+1/t15-/m0/s1