1-phenyl-5-(phenylmethyl)-1-(2-pyridin-3-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione

Systemtic Name: 1-phenyl-5-(phenylmethyl)-1-(2-pyridin-3-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione Openeye Name: 5-benzyl-1-phenyl-1-[2-(3-pyridyl)ethyl]hexahydropyrimidin-1-ium-2,4,6-trione CAS Name: 1-phenyl-5-(phenylmethyl)-1-[2-(3-pyridinyl)ethyl]-1,3-diazinan-1-ium-2,4,6-trione IUPAC Name: 5-benzyl-1-phenyl-1-(2-pyridin-3-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione Traditional Name: 5-benzyl-1-phenyl-1-[2-(3-pyridyl)ethyl]hexahydropyrimidin-1-ium-2,4,6-trione Formula: C24H22N3O3+ MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(=O)[N+](C2=O)(CCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC(=O)[N+](C2=O)(CCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3/c28-22-21(16-18-8-3-1-4-9-18)23(29)27(24(30)26-22,20-11-5-2-6-12-20)15-13-19-10-7-14-25-17-19/h1-12,14,17,21H,13,15-16H2/p+1