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

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(2-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl]-[(2-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl]-(2-fluorobenzyl)-methyl-ammonium Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+](C)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+](C)CC3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2O3S/c1-3-26-20(25)18-15(13-8-9-13)12-27-19(18)22-17(24)11-23(2)10-14-6-4-5-7-16(14)21/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24)/p+1