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

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

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

Isomeric SMILES

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

InChI

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