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

Systemtic Name: 1-cyclohexyl-5-[[[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[(1-benzyl-1-methyl-piperidin-1-ium-4-yl)amino]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[(1-benzyl-1-methylpiperidin-1-ium-4-yl)amino]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(1-benzyl-1-methyl-piperidin-1-ium-4-yl)amino]methylene]-1-cyclohexyl-barbituric acid Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3/c1-28(17-18-8-4-2-5-9-18)14-12-19(13-15-28)25-16-21-22(29)26-24(31)27(23(21)30)20-10-6-3-7-11-20/h2,4-5,8-9,16,19-20H,3,6-7,10-15,17H2,1H3,(H-,25,26,29,30,31)/p+1