(5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[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+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H24ClN3O3S/c1-22(13-15-12-16(21)5-6-17(15)27-2)14-19(25)23-7-9-24(10-8-23)20(26)18-4-3-11-28-18/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1