N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H34N4O2+2 MolecularWeight: 398.54166

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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=[NH+]3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H32N4O2/c1-23(2,3)19-7-9-20(10-8-19)29-17-12-25-22(28)18-26-13-15-27(16-14-26)21-6-4-5-11-24-21/h4-11H,12-18H2,1-3H3,(H,25,28)/p+2