[(1S)-2-azaniumyl-1-[4-(2-phenoxyethoxy)phenyl]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(2-phenoxyethoxy)phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(2-phenoxyethoxy)phenyl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(2-phenoxyethoxy)phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(2-phenoxyethoxy)phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(2-phenoxyethoxy)phenyl]ethyl]-diethyl-ammonium Formula: C20H30N2O2+2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=CC=C(C=C1)OCCOC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC=C(C=C1)OCCOC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O2/c1-3-22(4-2)20(16-21)17-10-12-19(13-11-17)24-15-14-23-18-8-6-5-7-9-18/h5-13,20H,3-4,14-16,21H2,1-2H3/p+2/t20-/m1/s1