5-[4-(2-propylsulfanylphenyl)piperazin-1-ium-1-yl]pentyl N-ethylcarbamate chloride

Systemtic Name: 5-[4-(2-propylsulfanylphenyl)piperazin-1-ium-1-yl]pentyl N-ethylcarbamate chloride Openeye Name: 5-[4-(2-propylsulfanylphenyl)piperazin-1-ium-1-yl]pentyl N-ethylcarbamate chloride CAS Name: N-ethylcarbamic acid 5-[4-[2-(propylthio)phenyl]-1-piperazin-1-iumyl]pentyl ester chloride IUPAC Name: 5-[4-(2-propylsulfanylphenyl)piperazin-1-ium-1-yl]pentyl N-ethylcarbamate chloride Traditional Name: N-ethylcarbamic acid 5-[4-[2-(propylthio)phenyl]piperazin-1-ium-1-yl]pentyl ester chloride Formula: C21H36ClN3O2S MolecularWeight: 430.04744

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1N2CC[NH+](CC2)CCCCCOC(=O)NCC.[Cl-]

Isomeric SMILES

CCCSC1=CC=CC=C1N2CC[NH+](CC2)CCCCCOC(=O)NCC.[Cl-]

InChI

InChI=1S/C21H35N3O2S.ClH/c1-3-18-27-20-11-7-6-10-19(20)24-15-13-23(14-16-24)12-8-5-9-17-26-21(25)22-4-2;/h6-7,10-11H,3-5,8-9,12-18H2,1-2H3,(H,22,25);1H