3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]ammonio]propyl-dimethyl-ammonium Formula: C18H33N3O2+2 MolecularWeight: 323.47352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O2/c1-18(2,3)20-17(22)14-23-16-9-7-15(8-10-16)13-19-11-6-12-21(4)5/h7-10,19H,6,11-14H2,1-5H3,(H,20,22)/p+2