[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl]-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl]-(4-fluorobenzyl)-methyl-ammonium Formula: C23H24FN2O3S+ MolecularWeight: 427.511663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O3S/c1-3-29-23(28)22-19(13-20(30-22)17-7-5-4-6-8-17)25-21(27)15-26(2)14-16-9-11-18(24)12-10-16/h4-13H,3,14-15H2,1-2H3,(H,25,27)/p+1