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

Systemtic Name: 1-imidazol-1-yl-5-(phenylmethyl)-1-(2-pyridin-2-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione Openeye Name: 5-benzyl-1-imidazol-1-yl-1-[2-(2-pyridyl)ethyl]hexahydropyrimidin-1-ium-2,4,6-trione CAS Name: 1-(1-imidazolyl)-5-(phenylmethyl)-1-[2-(2-pyridinyl)ethyl]-1,3-diazinan-1-ium-2,4,6-trione IUPAC Name: 5-benzyl-1-imidazol-1-yl-1-(2-pyridin-2-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione Traditional Name: 5-benzyl-1-imidazol-1-yl-1-[2-(2-pyridyl)ethyl]hexahydropyrimidin-1-ium-2,4,6-trione Formula: C21H20N5O3+ MolecularWeight: 390.4152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(=O)[N+](C2=O)(CCC3=CC=CC=N3)N4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC(=O)[N+](C2=O)(CCC3=CC=CC=N3)N4C=CN=C4

InChI

InChI=1S/C21H19N5O3/c27-19-18(14-16-6-2-1-3-7-16)20(28)26(21(29)24-19,25-12-11-22-15-25)13-9-17-8-4-5-10-23-17/h1-8,10-12,15,18H,9,13-14H2/p+1