[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]C[C@H](C2=CC=CC=C2)O)OC

InChI

InChI=1S/C22H30N2O4/c1-22(2,3)24-21(26)15-28-19-11-10-16(12-20(19)27-4)13-23-14-18(25)17-8-6-5-7-9-17/h5-12,18,23,25H,13-15H2,1-4H3,(H,24,26)/p+1/t18-/m1/s1