[(1S)-2-azaniumyl-1-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(2,3,6-trimethylphenoxy)phenyl]ethyl]-diethyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

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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(=C2C)C)C

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC=C(C=C1)OC2=C(C=CC(=C2C)C)C

InChI

InChI=1S/C21H30N2O/c1-6-23(7-2)20(14-22)18-10-12-19(13-11-18)24-21-16(4)9-8-15(3)17(21)5/h8-13,20H,6-7,14,22H2,1-5H3/p+2/t20-/m1/s1