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

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(3-thenoylamino)butanoylamino]ethyl]ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-4-25(5-2)20(17-8-6-9-19(14-17)28-3)15-24-21(26)10-7-12-23-22(27)18-11-13-29-16-18/h6,8-9,11,13-14,16,20H,4-5,7,10,12,15H2,1-3H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1