2-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)ammonio]ethyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]phenoxy]ethyl-dimethyl-ammonium Formula: C17H34N3O+3 MolecularWeight: 296.47136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O/c1-5-6-11-20(4)17(14-18)15-7-9-16(10-8-15)21-13-12-19(2)3/h7-10,17H,5-6,11-14,18H2,1-4H3/p+3/t17-/m1/s1