[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C21H26ClN2O3S+ MolecularWeight: 421.96074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-26-20-15-18(28-2)7-8-19(20)21(25)24-11-9-23(10-12-24)13-14-27-17-5-3-16(22)4-6-17/h3-8,15H,9-14H2,1-2H3/p+1