N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H35N3O3/c1-25(2,3)20-8-10-22(11-9-20)31-17-12-26-24(29)19-27-13-15-28(16-14-27)21-6-5-7-23(18-21)30-4/h5-11,18H,12-17,19H2,1-4H3,(H,26,29)/p+1