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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-methyl-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-methyl-ammonium Formula: C20H28ClN3O2S+2 MolecularWeight: 409.97322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H26ClN3O2S/c1-22(13-16-12-17(21)5-6-19(16)26-2)15-20(25)24-9-7-23(8-10-24)14-18-4-3-11-27-18/h3-6,11-12H,7-10,13-15H2,1-2H3/p+2