2-methoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-methoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-methoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-methoxy-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-methoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-methoxy-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-17-10-12(16)15-8-6-14(7-9-15)11-4-2-3-5-13-11/h2-5H,6-10H2,1H3/p+1