diethyl-[(1S)-1-(3-methoxyphenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]azanium Traditional Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)NCCC1=CC=CS1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)NCCC1=CC=CS1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C20H29N3O2S/c1-4-23(5-2)19(16-8-6-9-17(14-16)25-3)15-22-20(24)21-12-11-18-10-7-13-26-18/h6-10,13-14,19H,4-5,11-12,15H2,1-3H3,(H2,21,22,24)/p+1/t19-/m1/s1