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

Systemtic Name: hexanoyloxymethyl-dimethyl-[2-[phenyl(thiophen-2-ylmethyl)azaniumyl]ethyl]azanium dichloride Openeye Name: hexanoyloxymethyl-dimethyl-[2-[phenyl(2-thienylmethyl)ammonio]ethyl]ammonium dichloride CAS Name: dimethyl-(1-oxohexoxymethyl)-[2-[phenyl(thiophen-2-ylmethyl)ammonio]ethyl]ammonium dichloride IUPAC Name: hexanoyloxymethyl-dimethyl-[2-[phenyl(thiophen-2-ylmethyl)azaniumyl]ethyl]azanium dichloride Traditional Name: caproyloxymethyl-dimethyl-[2-[phenyl(2-thenyl)ammonio]ethyl]ammonium dichloride Formula: C22H34Cl2N2O2S MolecularWeight: 461.48856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC[N+](C)(C)CC[NH+](CC1=CC=CS1)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCCCCC(=O)OC[N+](C)(C)CC[NH+](CC1=CC=CS1)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C22H33N2O2S.2ClH/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;2*1H/q+1;;/p-1