N-[4-[4-[3-(2,5-dimethylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[3-(2,5-dimethylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(2,5-dimethylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(2,5-dimethylphenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(2,5-dimethylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(2,5-dimethylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-18-5-6-19(2)23(17-18)30-16-4-11-25-12-14-26(15-13-25)31(28,29)22-9-7-21(8-10-22)24-20(3)27/h5-10,17H,4,11-16H2,1-3H3,(H,24,27)/p+1