1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)pentan-1-one Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O/c1-2-3-7-14(18)17-11-9-16(10-12-17)13-6-4-5-8-15-13/h4-6,8H,2-3,7,9-12H2,1H3/p+1