[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-phenyl]methyl-phenethyl-azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-phenyl]methyl-phenethyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-chloro-5-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxyphenyl]methyl-phenethylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxyphenyl]methyl-phenethylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-chloro-5-methoxy-benzyl]-phenethyl-ammonium Formula: C22H30ClN2O3+ MolecularWeight: 405.9382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH2+]CCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH2+]CCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H29ClN2O3/c1-22(2,3)25-20(26)15-28-21-18(23)12-17(13-19(21)27-4)14-24-11-10-16-8-6-5-7-9-16/h5-9,12-13,24H,10-11,14-15H2,1-4H3,(H,25,26)/p+1