6-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-(2-piperidin-1-ium-1-ylethylthio)nicotinonitrile Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC[NH+]2CCCCC2

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC[NH+]2CCCCC2

InChI

InChI=1S/C14H19N3S/c1-12-5-6-13(11-15)14(16-12)18-10-9-17-7-3-2-4-8-17/h5-6H,2-4,7-10H2,1H3/p+1