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

Systemtic Name: N-tert-butyl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H37N6O2+3 MolecularWeight: 405.55748

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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)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H34N6O2/c1-21(2,3)23-19(28)16-24-10-14-27(15-11-24)20(29)17-25-8-12-26(13-9-25)18-6-4-5-7-22-18/h4-7H,8-17H2,1-3H3,(H,23,28)/p+3