2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[4-(methylthio)benzyl]acetamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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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)OC

Isomeric SMILES

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

InChI

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