N-pentan-3-yl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-pentan-3-yl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-ethylpropyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-pentan-3-yl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-pentan-3-yl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-ethylpropyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H28N4O+2 MolecularWeight: 292.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C16H26N4O/c1-3-14(4-2)18-16(21)13-19-9-11-20(12-10-19)15-7-5-6-8-17-15/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,21)/p+2