6-[2-[(1-oxidanyl-4-phenyl-butan-2-yl)amino]ethylamino]-1,3,3-tri(propan-2-yl)pyrimidin-3-ium-2,4-dione

Systemtic Name: 6-[2-[(1-oxidanyl-4-phenyl-butan-2-yl)amino]ethylamino]-1,3,3-tri(propan-2-yl)pyrimidin-3-ium-2,4-dione Openeye Name: 6-[2-[[1-(hydroxymethyl)-3-phenyl-propyl]amino]ethylamino]-1,3,3-triisopropyl-pyrimidin-3-ium-2,4-dione CAS Name: 6-[2-[(1-hydroxy-4-phenylbutan-2-yl)amino]ethylamino]-1,3,3-tri(propan-2-yl)pyrimidin-3-ium-2,4-dione IUPAC Name: 6-[2-[(1-hydroxy-4-phenylbutan-2-yl)amino]ethylamino]-1,3,3-tri(propan-2-yl)pyrimidin-3-ium-2,4-dione Traditional Name: 1,3,3-triisopropyl-6-[2-[(1-methylol-3-phenyl-propyl)amino]ethylamino]pyrimidin-3-ium-2,4-quinone Formula: C25H41N4O3+ MolecularWeight: 445.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=O)[N+](C1=O)(C(C)C)C(C)C)NCCNC(CCC2=CC=CC=C2)CO

Isomeric SMILES

CC(C)N1C(=CC(=O)[N+](C1=O)(C(C)C)C(C)C)NCCNC(CCC2=CC=CC=C2)CO

InChI

InChI=1S/C25H40N4O3/c1-18(2)28-23(16-24(31)29(19(3)4,20(5)6)25(28)32)27-15-14-26-22(17-30)13-12-21-10-8-7-9-11-21/h7-11,16,18-20,22,26,30H,12-15,17H2,1-6H3/p+1