(Z)-2-cyano-3-[2,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enethioamide

Systemtic Name: (Z)-2-cyano-3-[2,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enethioamide Openeye Name: (Z)-2-cyano-3-[2,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enethioamide CAS Name: (Z)-2-cyano-3-[2,5-dimethyl-3-(4-morpholin-4-iumylmethyl)phenyl]-2-propenethioamide IUPAC Name: (Z)-2-cyano-3-[2,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enethioamide Traditional Name: (Z)-2-cyano-3-[2,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]thioacrylamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=S)N)C)C[NH+]2CCOCC2

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(/C#N)\C(=S)N)C)C[NH+]2CCOCC2

InChI

InChI=1S/C17H21N3OS/c1-12-7-14(9-15(10-18)17(19)22)13(2)16(8-12)11-20-3-5-21-6-4-20/h7-9H,3-6,11H2,1-2H3,(H2,19,22)/p+1/b15-9-