1-[[2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,6-dioxohexahydropyrimidin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(2,6-diketohexahydropyrimidin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)CCNC3=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)CCNC3=O

InChI

InChI=1S/C17H22N4O3/c22-15-6-9-18-17(24)21(15)12-20-10-7-13(8-11-20)16(23)19-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,18,24)(H,19,23)/p+1