[(1S)-2-[2-(4-bromophenyl)ethanoylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[2-(4-bromophenyl)ethanoylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[2-(4-bromophenyl)acetyl]amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-1-(3-methoxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-[[2-(4-bromophenyl)acetyl]amino]-1-(3-methoxyphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-[[2-(4-bromophenyl)acetyl]amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium Formula: C21H28BrN2O2+ MolecularWeight: 420.36322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c1-4-24(5-2)20(17-7-6-8-19(14-17)26-3)15-23-21(25)13-16-9-11-18(22)12-10-16/h6-12,14,20H,4-5,13,15H2,1-3H3,(H,23,25)/p+1/t20-/m1/s1