1-[4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H21N3O/c1-15(22)17-4-6-18(7-5-17)21-11-9-20(10-12-21)14-16-3-2-8-19-13-16/h2-8,13H,9-12,14H2,1H3/p+1