3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-2-thioxo-hexahydropyrimidin-4-one Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CN3C(=O)CCNC3=S

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CN3C(=O)CCNC3=S

InChI

InChI=1S/C17H23N3OS/c21-16-8-9-18-17(22)20(16)13-15-7-3-2-6-14(15)12-19-10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-13H2,(H,18,22)/p+1