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

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-cyclohexyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-cyclohexyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-cyclohexyl-(4-fluorobenzyl)ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)[NH+](CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS/c22-18-8-6-16(7-9-18)15-25(19-4-2-1-3-5-19)12-10-20(26)24-21-17(14-23)11-13-27-21/h6-9,11,13,19H,1-5,10,12,15H2,(H,24,26)/p+1