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

Systemtic Name: 1-phenyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-phenyl-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=CC2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N=CC2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c28-21-20(22(29)27(23(30)25-21)19-9-5-2-6-10-19)15-24-18-11-13-26(14-12-18)16-17-7-3-1-4-8-17/h1-10,15,18,20H,11-14,16H2,(H,25,28,30)/p+1