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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]-[(2R)-2-hydroxypropyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC1=CC=C(C=C1)OCC(=O)NC(C)(C)C)O

Isomeric SMILES

C[C@H](C[NH2+]CC1=CC=C(C=C1)OCC(=O)NC(C)(C)C)O

InChI

InChI=1S/C16H26N2O3/c1-12(19)9-17-10-13-5-7-14(8-6-13)21-11-15(20)18-16(2,3)4/h5-8,12,17,19H,9-11H2,1-4H3,(H,18,20)/p+1/t12-/m1/s1