[(1S)-2-azaniumyl-1-[3-(3-phenylpropoxy)phenyl]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[3-(3-phenylpropoxy)phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[3-(3-phenylpropoxy)phenyl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[3-(3-phenylpropoxy)phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[3-(3-phenylpropoxy)phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[3-(3-phenylpropoxy)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(=CC=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC(=CC=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O/c1-3-23(4-2)21(17-22)19-13-8-14-20(16-19)24-15-9-12-18-10-6-5-7-11-18/h5-8,10-11,13-14,16,21H,3-4,9,12,15,17,22H2,1-2H3/p+2/t21-/m1/s1