N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-22(16-18-8-10-20(26-2)11-9-18)21(25)17-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3/p+1