2-(4-chloranylphenoxy)ethyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H24ClN3O3S/c1-22(12-13-27-17-6-4-16(21)5-7-17)15-19(25)23-8-10-24(11-9-23)20(26)18-3-2-14-28-18/h2-7,14H,8-13,15H2,1H3/p+1