[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]methyl-[(2R)-3,3-dimethylbutan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]methyl-[(2R)-3,3-dimethylbutan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-ethoxy-phenyl]methyl-[(1R)-1,2,2-trimethylpropyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methyl-[(2R)-3,3-dimethylbutan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methyl-[(2R)-3,3-dimethylbutan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-ethoxy-benzyl]-[(1R)-1,2,2-trimethylpropyl]ammonium Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C(C)C(C)(C)C)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+][C@H](C)C(C)(C)C)OCC(=O)N

InChI

InChI=1S/C17H28N2O3/c1-6-21-15-9-13(10-19-12(2)17(3,4)5)7-8-14(15)22-11-16(18)20/h7-9,12,19H,6,10-11H2,1-5H3,(H2,18,20)/p+1/t12-/m1/s1