1-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2-ethoxybenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-3-27-21-7-5-4-6-19(21)16-22-12-14-23(15-13-22)28(25,26)20-10-8-18(9-11-20)17(2)24/h4-11H,3,12-16H2,1-2H3/p+1