2-(3-methylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-methylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(m-tolyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-methylphenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(m-tolyl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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