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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C17H17FN3OS+ MolecularWeight: 330.399783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H16FN3OS/c18-14-3-1-12(2-4-14)10-21(15-5-6-15)11-16(22)20-17-13(9-19)7-8-23-17/h1-4,7-8,15H,5-6,10-11H2,(H,20,22)/p+1