[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-cyclopropyl-azanium chloride

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-cyclopropyl-azanium chloride Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-cyclopropyl-ammonium chloride CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-cyclopropylammonium chloride IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-cyclopropylazanium chloride Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-cyclopropyl-ammonium chloride Formula: C17H27ClN2O3 MolecularWeight: 342.86088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]C2CC2)OC.[Cl-]

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]C2CC2)OC.[Cl-]

InChI

InChI=1S/C17H26N2O3.ClH/c1-17(2,3)19-16(20)11-22-14-8-5-12(9-15(14)21-4)10-18-13-6-7-13;/h5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);1H