(Z)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enethioamide

Systemtic Name: (Z)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enethioamide Openeye Name: (Z)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enethioamide CAS Name: (Z)-2-cyano-3-[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-propenethioamide IUPAC Name: (Z)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enethioamide Traditional Name: (Z)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]thioacrylamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OCC[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C(=S)N)OCC[NH+]2CCOCC2

InChI

InChI=1S/C17H21N3O3S/c1-21-16-11-13(10-14(12-18)17(19)24)2-3-15(16)23-9-6-20-4-7-22-8-5-20/h2-3,10-11H,4-9H2,1H3,(H2,19,24)/p+1/b14-10-