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

Systemtic Name: 2-[2-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)azaniumyl]ethyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)ammonio]ethyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1S)-2-ammonio-1-[tert-butyl(ethyl)ammonio]ethyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1S)-2-azaniumyl-1-[tert-butyl(ethyl)azaniumyl]ethyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[(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=CC=C1OCC[NH+](C)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O/c1-7-21(18(2,3)4)16(14-19)15-10-8-9-11-17(15)22-13-12-20(5)6/h8-11,16H,7,12-14,19H2,1-6H3/p+3/t16-/m1/s1