[(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-phenoxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3-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(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

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