(2S)-N-(ethylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C15H25N5O2+2 MolecularWeight: 307.3913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O2/c1-3-16-15(22)18-14(21)12(2)19-8-10-20(11-9-19)13-6-4-5-7-17-13/h4-7,12H,3,8-11H2,1-2H3,(H2,16,18,21,22)/p+2/t12-/m0/s1