dimethyl-[[2-[2-oxidanylidene-2-(thiophen-3-ylmethylamino)ethoxy]-5-phenyl-phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[2-oxidanylidene-2-(thiophen-3-ylmethylamino)ethoxy]-5-phenyl-phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[2-oxo-2-(3-thienylmethylamino)ethoxy]-5-phenyl-phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[2-oxo-2-(3-thiophenylmethylamino)ethoxy]-5-phenylphenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[2-oxo-2-(thiophen-3-ylmethylamino)ethoxy]-5-phenylphenyl]methyl]azanium Traditional Name: [2-[2-keto-2-(3-thenylamino)ethoxy]-5-phenyl-benzyl]-dimethyl-ammonium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NCC3=CSC=C3

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NCC3=CSC=C3

InChI

InChI=1S/C22H24N2O2S/c1-24(2)14-20-12-19(18-6-4-3-5-7-18)8-9-21(20)26-15-22(25)23-13-17-10-11-27-16-17/h3-12,16H,13-15H2,1-2H3,(H,23,25)/p+1