(2S)-N-ethyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propionamide Formula: C16H27N5O2+2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O2/c1-3-17-16(23)13(2)19-15(22)12-20-8-10-21(11-9-20)14-6-4-5-7-18-14/h4-7,13H,3,8-12H2,1-2H3,(H,17,23)(H,19,22)/p+2/t13-/m0/s1