6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile Openeye Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile CAS Name: 6-methoxy-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinoline-3-carbonitrile Traditional Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylthio)quinoline-3-carbonitrile Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC[NH+]3CCCCC3

InChI

InChI=1S/C18H21N3OS/c1-22-16-5-6-17-14(12-16)11-15(13-19)18(20-17)23-10-9-21-7-3-2-4-8-21/h5-6,11-12H,2-4,7-10H2,1H3/p+1