2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)ammonio]ethyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[2-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[2-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]phenoxy]ethyl-diethyl-ammonium Formula: C19H38N3O+3 MolecularWeight: 324.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC=CC=C1OCC[NH+](CC)CC

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=CC=C1OCC[NH+](CC)CC

InChI

InChI=1S/C19H35N3O/c1-5-8-13-21(4)18(16-20)17-11-9-10-12-19(17)23-15-14-22(6-2)7-3/h9-12,18H,5-8,13-16,20H2,1-4H3/p+3/t18-/m1/s1