diethyl-[(1S)-2-[(4-fluorophenyl)carbamoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[(4-fluorophenyl)carbamoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(4-fluorophenyl)carbamoylamino]-1-(3-thienyl)ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[(4-fluoroanilino)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(4-fluorophenyl)carbamoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: diethyl-[(1S)-2-[(4-fluorophenyl)carbamoylamino]-1-(3-thienyl)ethyl]ammonium Formula: C17H23FN3OS+ MolecularWeight: 336.447423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)NC1=CC=C(C=C1)F)C2=CSC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)NC1=CC=C(C=C1)F)C2=CSC=C2

InChI

InChI=1S/C17H22FN3OS/c1-3-21(4-2)16(13-9-10-23-12-13)11-19-17(22)20-15-7-5-14(18)6-8-15/h5-10,12,16H,3-4,11H2,1-2H3,(H2,19,20,22)/p+1/t16-/m1/s1