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

Systemtic Name: 2-[4-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)azaniumyl]ethyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)ammonio]ethyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(1S)-2-ammonio-1-[tert-butyl(ethyl)ammonio]ethyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)azaniumyl]ethyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(1S)-2-ammonio-1-[tert-butyl(ethyl)ammonio]ethyl]phenoxy]ethyl-dimethyl-ammonium Formula: C18H36N3O+3 MolecularWeight: 310.49794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O/c1-7-21(18(2,3)4)17(14-19)15-8-10-16(11-9-15)22-13-12-20(5)6/h8-11,17H,7,12-14,19H2,1-6H3/p+3/t17-/m1/s1