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

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-[3-[(4-methoxyphenyl)thio]propanoyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O3S/c1-24(19-6-4-3-5-7-19)23(28)18-25-13-15-26(16-14-25)22(27)12-17-30-21-10-8-20(29-2)9-11-21/h3-11H,12-18H2,1-2H3/p+1