5,5-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)cyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazino)cyclohex-2-en-1-one Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-17(2)12-14(11-15(21)13-17)19-7-9-20(10-8-19)16-5-3-4-6-18-16/h3-6,11H,7-10,12-13H2,1-2H3/p+1