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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-3-14-22(15-4-2)20(16-21)17-10-12-19(13-11-17)23-18-8-6-5-7-9-18/h5-13,20H,3-4,14-16,21H2,1-2H3/p+2/t20-/m1/s1