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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: benzyl-[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H30N2O3/c1-5-26-20-13-18(15-23-14-17-9-7-6-8-10-17)11-12-19(20)27-16-21(25)24-22(2,3)4/h6-13,23H,5,14-16H2,1-4H3,(H,24,25)/p+1