[2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [2-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [2-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C18H31N2O4+ MolecularWeight: 339.44974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4/c1-6-14(11-21)19-10-13-8-7-9-15(23-5)17(13)24-12-16(22)20-18(2,3)4/h7-9,14,19,21H,6,10-12H2,1-5H3,(H,20,22)/p+1/t14-/m1/s1