2-[4-[3-(4-tert-butylphenoxy)propyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[3-(4-tert-butylphenoxy)propyl]-1-piperazine-1,4-diiumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H39N3O2/c1-5-22-9-6-7-10-25(22)28-26(31)21-30-18-16-29(17-19-30)15-8-20-32-24-13-11-23(12-14-24)27(2,3)4/h6-7,9-14H,5,8,15-21H2,1-4H3,(H,28,31)/p+2