6-cyclopropyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-(2-piperidin-1-ium-1-ylethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C17H21F3N3S+ MolecularWeight: 356.42895

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3CC3)C(F)(F)F)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3CC3)C(F)(F)F)C#N

InChI

InChI=1S/C17H20F3N3S/c18-17(19,20)14-10-15(12-4-5-12)22-16(13(14)11-21)24-9-8-23-6-2-1-3-7-23/h10,12H,1-9H2/p+1