2-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]CC[NH+](C)C

Isomeric SMILES

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]CC[NH+](C)C

InChI

InChI=1S/C17H29N3O2/c1-17(2,3)19-16(21)13-22-15-8-6-14(7-9-15)12-18-10-11-20(4)5/h6-9,18H,10-13H2,1-5H3,(H,19,21)/p+2