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

Systemtic Name: 1-phenyl-5-(phenylmethyl)-1-(2-thiophen-2-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione Openeye Name: 5-benzyl-1-phenyl-1-[2-(2-thienyl)ethyl]hexahydropyrimidin-1-ium-2,4,6-trione CAS Name: 1-phenyl-5-(phenylmethyl)-1-(2-thiophen-2-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione IUPAC Name: 5-benzyl-1-phenyl-1-(2-thiophen-2-ylethyl)-1,3-diazinan-1-ium-2,4,6-trione Traditional Name: 5-benzyl-1-phenyl-1-[2-(2-thienyl)ethyl]hexahydropyrimidin-1-ium-2,4,6-trione Formula: C23H21N2O3S+ MolecularWeight: 405.48944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(=O)[N+](C2=O)(CCC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC(=O)[N+](C2=O)(CCC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S/c26-21-20(16-17-8-3-1-4-9-17)22(27)25(23(28)24-21,18-10-5-2-6-11-18)14-13-19-12-7-15-29-19/h1-12,15,20H,13-14,16H2/p+1