5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]barbituric acid Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC=C2C(=O)NC(=O)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC=C2C(=O)NC(=O)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3/c22-15-14(16(23)20-17(24)19-15)10-18-13-6-8-21(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13,18H,6-9,11H2,(H2,19,20,22,23,24)/p+1