(2R)-N-(5-chloranylpyridin-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(5-chloranylpyridin-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(5-chloro-2-pyridyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloropyridin-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(5-chloro-2-pyridyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H22ClN5O+2 MolecularWeight: 347.84248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20ClN5O/c1-13(17(24)21-15-6-5-14(18)12-20-15)22-8-10-23(11-9-22)16-4-2-3-7-19-16/h2-7,12-13H,8-11H2,1H3,(H,20,21,24)/p+2/t13-/m1/s1