N-tert-butyl-2-[4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C23H39N5O2+2 MolecularWeight: 417.58806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H37N5O2/c1-23(2,3)24-21(29)18-26-13-15-28(16-14-26)22(30)19-27-11-9-25(10-12-27)17-20-7-5-4-6-8-20/h4-8H,9-19H2,1-3H3,(H,24,29)/p+2