N-(2-methylsulfanylphenyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-(2-methylsulfanylphenyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-(4-phenethyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-(4-phenethylpiperazin-4-ium-1-yl)propionamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCN2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCN2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-27-21-10-6-5-9-20(21)23-22(26)12-14-25-17-15-24(16-18-25)13-11-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,23,26)/p+1