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

Systemtic Name: N-propan-2-yl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H35N6O2+3 MolecularWeight: 391.5309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N6O2/c1-17(2)22-19(27)15-23-9-13-26(14-10-23)20(28)16-24-7-11-25(12-8-24)18-5-3-4-6-21-18/h3-6,17H,7-16H2,1-2H3,(H,22,27)/p+3