1-[3,3-ditert-butyl-2-ethyl-4-(3-hydroxyphenyl)-4-methyl-1-propanoyl-piperazin-4-ium-2-yl]urea

Systemtic Name: 1-[3,3-ditert-butyl-2-ethyl-4-(3-hydroxyphenyl)-4-methyl-1-propanoyl-piperazin-4-ium-2-yl]urea Openeye Name: [3,3-ditert-butyl-2-ethyl-4-(3-hydroxyphenyl)-4-methyl-1-propanoyl-piperazin-4-ium-2-yl]urea CAS Name: [3,3-ditert-butyl-2-ethyl-4-(3-hydroxyphenyl)-4-methyl-1-(1-oxopropyl)-2-piperazin-4-iumyl]urea IUPAC Name: [3,3-ditert-butyl-2-ethyl-4-(3-hydroxyphenyl)-4-methyl-1-propanoylpiperazin-4-ium-2-yl]urea Traditional Name: [3,3-ditert-butyl-2-ethyl-4-(3-hydroxyphenyl)-4-methyl-1-propionyl-piperazin-4-ium-2-yl]urea Formula: C25H43N4O3+ MolecularWeight: 447.63392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[N+](C(C1(CC)NC(=O)N)(C(C)(C)C)C(C)(C)C)(C)C2=CC(=CC=C2)O

Isomeric SMILES

CCC(=O)N1CC[N+](C(C1(CC)NC(=O)N)(C(C)(C)C)C(C)(C)C)(C)C2=CC(=CC=C2)O

InChI

InChI=1S/C25H42N4O3/c1-10-20(31)28-15-16-29(9,18-13-12-14-19(30)17-18)25(22(3,4)5,23(6,7)8)24(28,11-2)27-21(26)32/h12-14,17H,10-11,15-16H2,1-9H3,(H3-,26,27,30,32)/p+1