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

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[2-(2-nitrophenyl)ethanoylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[2-(2-nitrophenyl)acetyl]amino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[2-(2-nitrophenyl)-1-oxoethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[2-(2-nitrophenyl)acetyl]amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[2-(2-nitrophenyl)acetyl]amino]ethyl]ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)CC1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CC1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H27N3O4/c1-4-23(5-2)20(16-10-8-11-18(13-16)28-3)15-22-21(25)14-17-9-6-7-12-19(17)24(26)27/h6-13,20H,4-5,14-15H2,1-3H3,(H,22,25)/p+1/t20-/m1/s1