1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-[2-(4-oxidanylmorpholin-4-ium-4-yl)ethoxy]naphthalen-1-yl]urea

Systemtic Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-[2-(4-oxidanylmorpholin-4-ium-4-yl)ethoxy]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-[2-(4-hydroxymorpholin-4-ium-4-yl)ethoxy]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-[4-[2-(4-hydroxy-4-morpholin-4-iumyl)ethoxy]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[4-[2-(4-hydroxymorpholin-4-ium-4-yl)ethoxy]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-[2-(4-hydroxymorpholin-4-ium-4-yl)ethoxy]-1-naphthyl]urea Formula: C25H34N5O4+ MolecularWeight: 468.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)OCC[N+]4(CCOCC4)O)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)OCC[N+]4(CCOCC4)O)C

InChI

InChI=1S/C25H33N5O4/c1-25(2,3)22-17-23(29(4)28-22)27-24(31)26-20-9-10-21(19-8-6-5-7-18(19)20)34-16-13-30(32)11-14-33-15-12-30/h5-10,17,32H,11-16H2,1-4H3,(H-,26,27,28,31)/p+1