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

Systemtic Name: 7-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile Openeye Name: 7-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile CAS Name: 7-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-quinolinecarbonitrile IUPAC Name: 7-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile Traditional Name: 7-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=CC2=C(C=C1)C=C(C(=N2)SCC[NH+]3CCCCC3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC[NH+]3CCCCC3)C#N

InChI

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