2-[4-[4-[(4-tert-butylphenoxy)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[4-[(4-tert-butylphenoxy)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-[(4-tert-butylphenoxy)methyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[4-[(4-tert-butylphenoxy)methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-[(4-tert-butylphenoxy)methyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-[(4-tert-butylphenoxy)methyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C27H35N3O3/c1-27(2,3)22-8-12-24(13-9-22)33-19-20-4-6-21(7-5-20)26(32)30-16-14-29(15-17-30)18-25(31)28-23-10-11-23/h4-9,12-13,23H,10-11,14-19H2,1-3H3,(H,28,31)/p+1