hexanoyloxymethyl-dimethyl-[2-[phenyl(thiophen-2-ylmethyl)amino]ethyl]azanium

Systemtic Name: hexanoyloxymethyl-dimethyl-[2-[phenyl(thiophen-2-ylmethyl)amino]ethyl]azanium Openeye Name: hexanoyloxymethyl-dimethyl-[2-[N-(2-thienylmethyl)anilino]ethyl]ammonium CAS Name: dimethyl-(1-oxohexoxymethyl)-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]ammonium IUPAC Name: hexanoyloxymethyl-dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium Traditional Name: caproyloxymethyl-dimethyl-[2-[N-(2-thenyl)anilino]ethyl]ammonium Formula: C22H33N2O2S+ MolecularWeight: 389.57462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC[N+](C)(C)CCN(CC1=CC=CS1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)OC[N+](C)(C)CCN(CC1=CC=CS1)C2=CC=CC=C2

InChI

InChI=1S/C22H33N2O2S/c1-4-5-7-14-22(25)26-19-24(2,3)16-15-23(18-21-13-10-17-27-21)20-11-8-6-9-12-20/h6,8-13,17H,4-5,7,14-16,18-19H2,1-3H3/q+1