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

Systemtic Name: (2S)-N-propyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-propyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propanamide CAS Name: (2S)-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-N-propyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-propyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propionamide Formula: C17H29N5O2+2 MolecularWeight: 335.44446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O2/c1-3-7-19-17(24)14(2)20-16(23)13-21-9-11-22(12-10-21)15-6-4-5-8-18-15/h4-6,8,14H,3,7,9-13H2,1-2H3,(H,19,24)(H,20,23)/p+2/t14-/m0/s1