1,3-benzothiazol-2-ylmethyl-[[2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2,6-dioxohexahydropyrimidin-1-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(2,6-diketohexahydropyrimidin-1-yl)methyl]-methyl-ammonium Formula: C14H17N4O2S+ MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=O)CCNC3=O

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=O)CCNC3=O

InChI

InChI=1S/C14H16N4O2S/c1-17(9-18-13(19)6-7-15-14(18)20)8-12-16-10-4-2-3-5-11(10)21-12/h2-5H,6-9H2,1H3,(H,15,20)/p+1