3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H29N3O2S/c1-3-27-20-10-6-5-9-19(20)25-16-14-24(15-17-25)13-12-22(26)23-18-8-4-7-11-21(18)28-2/h4-11H,3,12-17H2,1-2H3,(H,23,26)/p+1