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

Systemtic Name: (5S)-1-butyl-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-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-butyl-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-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=S)C=NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=S)C=NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-2-3-11-25-20(27)18(19(26)23-21(25)28)14-22-17-9-12-24(13-10-17)15-16-7-5-4-6-8-16/h4-8,14,17-18H,2-3,9-13,15H2,1H3,(H,23,26,28)/p+1/t18-/m0/s1