4-chloranyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-chloranyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-chloro-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-chloro-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-chloro-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-chloro-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C13H19ClN3O+ MolecularWeight: 268.76246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCCl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCCl

InChI

InChI=1S/C13H18ClN3O/c14-6-3-5-13(18)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11H2/p+1