N-(2-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)OC

InChI

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