3-[3-[(1S)-2-azaniumyl-1-[butyl(ethyl)azaniumyl]ethyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[(1S)-2-azaniumyl-1-[butyl(ethyl)azaniumyl]ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[(1S)-2-azaniumyl-1-[butyl(ethyl)ammonio]ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[(1S)-2-ammonio-1-[butyl(ethyl)ammonio]ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[(1S)-2-azaniumyl-1-[butyl(ethyl)azaniumyl]ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[(1S)-2-ammonio-1-[butyl(ethyl)ammonio]ethyl]phenoxy]propyl-dimethyl-ammonium Formula: C19H38N3O+3 MolecularWeight: 324.52452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H35N3O/c1-5-7-13-22(6-2)19(16-20)17-10-8-11-18(15-17)23-14-9-12-21(3)4/h8,10-11,15,19H,5-7,9,12-14,16,20H2,1-4H3/p+3/t19-/m1/s1