[2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C19H23FN3O3S+ MolecularWeight: 392.467623

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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)CCC3)C(=O)N

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N

InChI

InChI=1S/C19H22FN3O3S/c1-23(9-11-6-7-14(26-2)13(20)8-11)10-16(24)22-19-17(18(21)25)12-4-3-5-15(12)27-19/h6-8H,3-5,9-10H2,1-2H3,(H2,21,25)(H,22,24)/p+1