(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl chloride

Systemtic Name: (2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl chloride Openeye Name: (2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl chloride CAS Name: (2S)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propanoyl chloride IUPAC Name: (2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoyl chloride Traditional Name: (2S)-2-(4-pyridin-1-ium-2-ylpiperazino)propionyl chloride Formula: C12H17ClN3O+ MolecularWeight: 254.73588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)Cl)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[C@@H](C(=O)Cl)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C12H16ClN3O/c1-10(12(13)17)15-6-8-16(9-7-15)11-4-2-3-5-14-11/h2-5,10H,6-9H2,1H3/p+1/t10-/m0/s1