1-butyl-1-phenethyl-1,3-diazinan-1-ium-2,4,6-trione

Systemtic Name: 1-butyl-1-phenethyl-1,3-diazinan-1-ium-2,4,6-trione Openeye Name: 1-butyl-1-phenethyl-hexahydropyrimidin-1-ium-2,4,6-trione CAS Name: 1-butyl-1-phenethyl-1,3-diazinan-1-ium-2,4,6-trione IUPAC Name: 1-butyl-1-phenethyl-1,3-diazinan-1-ium-2,4,6-trione Traditional Name: 1-butyl-1-phenethyl-hexahydropyrimidin-1-ium-2,4,6-trione Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)CC(=O)NC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCC[N+]1(C(=O)CC(=O)NC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3/c1-2-3-10-18(11-9-13-7-5-4-6-8-13)15(20)12-14(19)17-16(18)21/h4-8H,2-3,9-12H2,1H3/p+1