[(1S)-2-azaniumyl-1-[4-(3-phenylpropoxy)phenyl]ethyl]-(2-hydroxyethyl)-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(3-phenylpropoxy)phenyl]ethyl]-(2-hydroxyethyl)-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(3-phenylpropoxy)phenyl]ethyl]-(2-hydroxyethyl)-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(3-phenylpropoxy)phenyl]ethyl]-(2-hydroxyethyl)-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(3-phenylpropoxy)phenyl]ethyl]-(2-hydroxyethyl)-methylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(3-phenylpropoxy)phenyl]ethyl]-(2-hydroxyethyl)-methyl-ammonium Formula: C20H30N2O2+2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2/c1-22(13-14-23)20(16-21)18-9-11-19(12-10-18)24-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,20,23H,5,8,13-16,21H2,1H3/p+2/t20-/m1/s1