diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(2S)-1-oxo-2-(phenylthio)propyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(2S)-2-(phenylthio)propanoyl]amino]ethyl]ammonium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C(C)SC1=CC=CC=C1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)[C@H](C)SC1=CC=CC=C1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C22H30N2O2S/c1-5-24(6-2)21(18-11-10-12-19(15-18)26-4)16-23-22(25)17(3)27-20-13-8-7-9-14-20/h7-15,17,21H,5-6,16H2,1-4H3,(H,23,25)/p+1/t17-,21+/m0/s1