2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazino]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C18H20FN4O2S+ MolecularWeight: 375.440403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C

InChI

InChI=1S/C18H19FN4O2S/c1-13-10-14(2)21-18(17(13)12-20)22-6-8-23(9-7-22)26(24,25)16-5-3-4-15(19)11-16/h3-5,10-11H,6-9H2,1-2H3/p+1