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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(2-thenyl)ammonium Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CS2)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CS2)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C20H28N2O3S/c1-5-24-18-11-15(12-21-13-16-7-6-10-26-16)8-9-17(18)25-14-19(23)22-20(2,3)4/h6-11,21H,5,12-14H2,1-4H3,(H,22,23)/p+1