[(1S)-2-azaniumyl-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(3,5-dimethylphenoxy)phenyl]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=C(C=C1)OC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC=C(C=C1)OC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H28N2O/c1-5-22(6-2)20(14-21)17-7-9-18(10-8-17)23-19-12-15(3)11-16(4)13-19/h7-13,20H,5-6,14,21H2,1-4H3/p+2/t20-/m1/s1