6-ethoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 6-ethoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile Openeye Name: 6-ethoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile CAS Name: 6-ethoxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-3-quinolinecarbonitrile IUPAC Name: 6-ethoxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinoline-3-carbonitrile Traditional Name: 6-ethoxy-2-(2-morpholin-4-ium-4-ylethylthio)quinoline-3-carbonitrile Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC[NH+]3CCOCC3

InChI

InChI=1S/C18H21N3O2S/c1-2-23-16-3-4-17-14(12-16)11-15(13-19)18(20-17)24-10-7-21-5-8-22-9-6-21/h3-4,11-12H,2,5-10H2,1H3/p+1