[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methyl-phenethyl-azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methyl-phenethyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-phenethylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-phenethylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]-phenethyl-ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O2/c1-21(2,3)23-20(24)16-25-19-11-9-18(10-12-19)15-22-14-13-17-7-5-4-6-8-17/h4-12,22H,13-16H2,1-3H3,(H,23,24)/p+1