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

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-(3-phenylpropanoylamino)ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-(3-phenylpropanoylamino)ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(1-oxo-3-phenylpropyl)amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-(3-phenylpropanoylamino)ethyl]azanium Traditional Name: diethyl-[(1S)-2-(hydrocinnamoylamino)-1-(3-methoxyphenyl)ethyl]ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)CCC1=CC=CC=C1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CCC1=CC=CC=C1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C22H30N2O2/c1-4-24(5-2)21(19-12-9-13-20(16-19)26-3)17-23-22(25)15-14-18-10-7-6-8-11-18/h6-13,16,21H,4-5,14-15,17H2,1-3H3,(H,23,25)/p+1/t21-/m1/s1