1-phenethyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-phenethyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-phenethyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-phenethyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-phenethyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-phenethyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]barbituric acid Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCNC=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c25-18-17(15-21-10-14-23-11-5-2-6-12-23)19(26)24(20(27)22-18)13-9-16-7-3-1-4-8-16/h1,3-4,7-8,15,21H,2,5-6,9-14H2,(H,22,25,27)/p+1