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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H35N3O/c1-7-22(19(2,3)4)18(15-20)16-10-8-11-17(14-16)23-13-9-12-21(5)6/h8,10-11,14,18H,7,9,12-13,15,20H2,1-6H3/p+3/t18-/m1/s1


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