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

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(2-prop-2-enylphenoxy)phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-1-[4-(2-allylphenoxy)phenyl]-2-azaniumyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(2-prop-2-enylphenoxy)phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(2-prop-2-enylphenoxy)phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-1-[4-(2-allylphenoxy)phenyl]-2-ammonio-ethyl]-diethyl-ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=CC=C(C=C1)OC2=CC=CC=C2CC=C

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC=C(C=C1)OC2=CC=CC=C2CC=C

InChI

InChI=1S/C21H28N2O/c1-4-9-18-10-7-8-11-21(18)24-19-14-12-17(13-15-19)20(16-22)23(5-2)6-3/h4,7-8,10-15,20H,1,5-6,9,16,22H2,2-3H3/p+2/t20-/m1/s1