[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[2-propoxy-5-(trifluoromethyl)phenyl]azanium

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[2-propoxy-5-(trifluoromethyl)phenyl]azanium Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-[2-propoxy-5-(trifluoromethyl)phenyl]ammonium CAS Name: [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-[2-propoxy-5-(trifluoromethyl)phenyl]ammonium IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-[2-propoxy-5-(trifluoromethyl)phenyl]azanium Traditional Name: [2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-[2-propoxy-5-(trifluoromethyl)phenyl]ammonium Formula: C21H25F3N3O3S+ MolecularWeight: 456.50171

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24F3N3O3S/c1-2-11-30-17-6-5-15(21(22,23)24)13-16(17)25-14-19(28)26-7-9-27(10-8-26)20(29)18-4-3-12-31-18/h3-6,12-13,25H,2,7-11,14H2,1H3/p+1