[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C20H23FN3O2S+ MolecularWeight: 388.478923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H22FN3O2S/c1-24(11-13-7-8-17(26-2)16(21)9-13)12-19(25)23-20-15(10-22)14-5-3-4-6-18(14)27-20/h7-9H,3-6,11-12H2,1-2H3,(H,23,25)/p+1