methyl 3-(4-chlorophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: methyl 3-(4-chlorophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-propanimidothioate Openeye Name: methyl 3-(4-chlorophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-propanimidothioate CAS Name: 3-(4-chlorophenyl)-2-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxopropanimidothioic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-oxopropanimidothioate Traditional Name: 3-(4-chlorophenyl)-2-cyano-3-keto-N-(2-morpholin-4-ium-4-ylethyl)thiopropionimidic acid methyl ester Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC[NH+]1CCOCC1)C(C#N)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC(=NCC[NH+]1CCOCC1)C(C#N)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClN3O2S/c1-24-17(20-6-7-21-8-10-23-11-9-21)15(12-19)16(22)13-2-4-14(18)5-3-13/h2-5,15H,6-11H2,1H3/p+1