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

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(thiophen-2-ylcarbonylamino)butanoylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(thiophene-2-carbonylamino)butanoylamino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(thiophene-2-carbonylamino)butanoylamino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[4-(2-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=CC=CS1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CCCNC(=O)C1=CC=CS1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C22H31N3O3S/c1-4-25(5-2)19(17-9-6-10-18(15-17)28-3)16-24-21(26)12-7-13-23-22(27)20-11-8-14-29-20/h6,8-11,14-15,19H,4-5,7,12-13,16H2,1-3H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1