(5S)-5-ethyl-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-5-ethyl-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-5-ethyl-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-5-ethyl-5-phenyl-1-(1-piperidin-1-iumylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-5-ethyl-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-5-ethyl-5-phenyl-1-(piperidin-1-ium-1-ylmethyl)barbituric acid Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@]1(C(=O)NC(=O)N(C1=O)C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3/c1-2-18(14-9-5-3-6-10-14)15(22)19-17(24)21(16(18)23)13-20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,19,22,24)/p+1/t18-/m0/s1