[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(2-hydroxyethyl)azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(2-hydroxyethyl)ammonium Formula: C17H29N2O4+ MolecularWeight: 325.42316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4/c1-5-22-15-10-13(11-18-8-9-20)6-7-14(15)23-12-16(21)19-17(2,3)4/h6-7,10,18,20H,5,8-9,11-12H2,1-4H3,(H,19,21)/p+1