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

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O/c1-2-12(16)15-9-7-14(8-10-15)11-5-3-4-6-13-11/h3-6H,2,7-10H2,1H3/p+1