[(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-phenethyloxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-phenethyloxyphenyl)ethyl]-diethyl-ammonium Formula: C20H30N2O+2 MolecularWeight: 314.465

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=CC(=CC=C1)OCCC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC(=CC=C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O/c1-3-22(4-2)20(16-21)18-11-8-12-19(15-18)23-14-13-17-9-6-5-7-10-17/h5-12,15,20H,3-4,13-14,16,21H2,1-2H3/p+2/t20-/m1/s1