1-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]phenyl]propan-1-one Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H23N3O3/c1-2-18(24)16-6-8-17(9-7-16)26-15-20(25)23-13-11-22(12-14-23)19-5-3-4-10-21-19/h3-10H,2,11-15H2,1H3/p+1