[(1S)-2-azaniumyl-1-(4-phenoxyphenyl)ethyl]-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-phenoxyphenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-phenoxyphenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-phenoxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-phenoxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(4-phenoxyphenyl)ethyl]-butyl-ethyl-ammonium Formula: C20H30N2O+2 MolecularWeight: 314.465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-3-5-15-22(4-2)20(16-21)17-11-13-19(14-12-17)23-18-9-7-6-8-10-18/h6-14,20H,3-5,15-16,21H2,1-2H3/p+2/t20-/m1/s1