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

Systemtic Name: 1-naphthalen-1-yl-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]-1-(1-naphthyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1-naphthalenyl)-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-naphthalen-1-yl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1-(1-naphthyl)barbituric acid Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-25-23(17-28-21-13-15-30(16-14-21)18-19-7-2-1-3-8-19)26(33)31(27(34)29-25)24-12-6-10-20-9-4-5-11-22(20)24/h1-12,17,21,28H,13-16,18H2,(H,29,32,34)/p+1