[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C18H23FN3O3S+ MolecularWeight: 380.456923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)F)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)F)C(=O)NC)N

InChI

InChI=1S/C18H22FN3O3S/c1-4-25-18(24)14-13(15(17(23)21-2)26-16(14)20)10-22(3)9-11-5-7-12(19)8-6-11/h5-8H,4,9-10,20H2,1-3H3,(H,21,23)/p+1