N-(2,6-dimethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methoxyphenyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O3S/c1-17-5-4-6-18(2)23(17)24-21(27)15-25-11-13-26(14-12-25)22(28)16-30-20-9-7-19(29-3)8-10-20/h4-10H,11-16H2,1-3H3,(H,24,27)/p+1