2-(5-ethanoyl-2-methoxy-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(5-ethanoyl-2-methoxy-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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