diethyl-[(1S)-1-phenyl-2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[4-(3-thenoylamino)butanoylamino]ethyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-3-24(4-2)19(17-9-6-5-7-10-17)15-23-20(25)11-8-13-22-21(26)18-12-14-27-16-18/h5-7,9-10,12,14,16,19H,3-4,8,11,13,15H2,1-2H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1