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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-5-22(6-2)19(14-21)17-9-11-18(12-10-17)23-20-13-15(3)7-8-16(20)4/h7-13,19H,5-6,14,21H2,1-4H3/p+2/t19-/m1/s1