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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-5-23(6-2)21(15-22)18-9-13-20(14-10-18)24-19-11-7-17(8-12-19)16(3)4/h7-14,16,21H,5-6,15,22H2,1-4H3/p+2/t21-/m1/s1