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

Systemtic Name: 2-(3,4-dimethylphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(3,4-dimethylphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3,4-dimethylphenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O/c1-15-3-4-17(13-16(15)2)14-19(23)22-11-9-21(10-12-22)18-5-7-20-8-6-18/h3-8,13H,9-12,14H2,1-2H3/p+1