(2R)-N-(methylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(methylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(methylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(methylcarbamoyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(methylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(methylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C14H23N5O2+2 MolecularWeight: 293.36472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O2/c1-11(13(20)17-14(21)15-2)18-7-9-19(10-8-18)12-5-3-4-6-16-12/h3-6,11H,7-10H2,1-2H3,(H2,15,17,20,21)/p+2/t11-/m1/s1