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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-chloranyl-5-ethoxy-phenyl]methyl-phenethyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-chloro-5-ethoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-ethoxyphenyl]methyl-phenethylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-ethoxyphenyl]methyl-phenethylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-chloro-5-ethoxy-benzyl]-phenethyl-ammonium Formula: C23H32ClN2O3+ MolecularWeight: 419.96478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Cl)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Cl)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C23H31ClN2O3/c1-5-28-20-14-18(15-25-12-11-17-9-7-6-8-10-17)13-19(24)22(20)29-16-21(27)26-23(2,3)4/h6-10,13-14,25H,5,11-12,15-16H2,1-4H3,(H,26,27)/p+1