1-[4-ethoxy-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-ethoxy-phenyl]ethanone Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-3-28-22-10-9-20(18(2)25)15-21(22)16-23-11-13-24(14-12-23)29(26,27)17-19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3/p+1