[3-[(3-aminocarbonylthiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [3-[(3-aminocarbonylthiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: [3-[(3-carbamoyl-2-thienyl)amino]-3-oxo-propyl]-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: [3-[(3-carbamoyl-2-thiophenyl)amino]-3-oxopropyl]-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: [3-[(3-carbamoylthiophen-2-yl)amino]-3-oxopropyl]-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: [3-[(3-carbamoyl-2-thienyl)amino]-3-keto-propyl]-(4-fluorobenzyl)-methyl-ammonium Formula: C16H19FN3O2S+ MolecularWeight: 336.404363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FN3O2S/c1-20(10-11-2-4-12(17)5-3-11)8-6-14(21)19-16-13(15(18)22)7-9-23-16/h2-5,7,9H,6,8,10H2,1H3,(H2,18,22)(H,19,21)/p+1