N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methyl-2-furyl)vinyl]-6H-benzothiophen-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methyl-2-furanyl)ethenyl]-6H-1-benzothiophen-2-yl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methyl-2-furyl)vinyl]-6H-benzothiophen-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC2=CC3=C(C(C2)(C)C)SC(=C3C#N)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)/C=C/C2=CC3=C(C(C2)(C)C)SC(=C3C#N)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O3S/c1-16-4-6-18(30-16)7-5-17-12-19-20(14-25)23(31-22(19)24(2,3)13-17)26-21(28)15-27-8-10-29-11-9-27/h4-7,12H,8-11,13,15H2,1-3H3,(H,26,28)/p+1/b7-5+