3-(4-bromanylbutyl)-1-oxidanidyl-1-(phenylmethyl)-1,3-diazinan-1-ium-2-one

Systemtic Name: 3-(4-bromanylbutyl)-1-oxidanidyl-1-(phenylmethyl)-1,3-diazinan-1-ium-2-one Openeye Name: 1-benzyl-3-(4-bromobutyl)-1-oxido-hexahydropyrimidin-1-ium-2-one CAS Name: 3-(4-bromobutyl)-1-oxido-1-(phenylmethyl)-1,3-diazinan-1-ium-2-one IUPAC Name: 1-benzyl-3-(4-bromobutyl)-1-oxido-1,3-diazinan-1-ium-2-one Traditional Name: 1-benzyl-3-(4-bromobutyl)-1-oxido-hexahydropyrimidin-1-ium-2-one Formula: C15H21BrN2O2 MolecularWeight: 341.24344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)[N+](C1)(CC2=CC=CC=C2)[O-])CCCCBr

Isomeric SMILES

C1CN(C(=O)[N+](C1)(CC2=CC=CC=C2)[O-])CCCCBr

InChI

InChI=1S/C15H21BrN2O2/c16-9-4-5-10-17-11-6-12-18(20,15(17)19)13-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2