[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C20H29N2O2S+ MolecularWeight: 361.52146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=CC=CS2

InChI

InChI=1S/C20H28N2O2S/c1-20(2,3)16-7-9-17(10-8-16)24-12-11-21-19(23)15-22(4)14-18-6-5-13-25-18/h5-10,13H,11-12,14-15H2,1-4H3,(H,21,23)/p+1