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

Systemtic Name: 6-(1-adamantyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(2-piperidin-1-ium-1-ylethylthio)nicotinonitrile Formula: C23H32N3S+ MolecularWeight: 382.58528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C23H31N3S/c24-16-20-4-5-21(23-13-17-10-18(14-23)12-19(11-17)15-23)25-22(20)27-9-8-26-6-2-1-3-7-26/h4-5,17-19H,1-3,6-15H2/p+1