7-methoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 7-methoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile Openeye Name: 7-methoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile CAS Name: 7-methoxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-3-quinolinecarbonitrile IUPAC Name: 7-methoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile Traditional Name: 7-methoxy-2-(2-morpholin-4-ium-4-ylethylthio)quinoline-3-carbonitrile Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC[NH+]3CCOCC3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C17H19N3O2S/c1-21-15-3-2-13-10-14(12-18)17(19-16(13)11-15)23-9-6-20-4-7-22-8-5-20/h2-3,10-11H,4-9H2,1H3/p+1