8-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 8-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile Openeye Name: 8-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile CAS Name: 8-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-quinolinecarbonitrile IUPAC Name: 8-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile Traditional Name: 8-methyl-2-(2-piperidin-1-ium-1-ylethylthio)quinoline-3-carbonitrile Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC[NH+]3CCCCC3

InChI

InChI=1S/C18H21N3S/c1-14-6-5-7-15-12-16(13-19)18(20-17(14)15)22-11-10-21-8-3-2-4-9-21/h5-7,12H,2-4,8-11H2,1H3/p+1