1-(4-ethoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-ethoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-ethoxyphenyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-ethoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-ethoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)-1-p-phenetyl-ethanone Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-4-29-21-9-5-20(6-10-21)23(26)17-24-13-15-25(16-14-24)30(27,28)22-11-7-19(8-12-22)18(2)3/h5-12,18H,4,13-17H2,1-3H3/p+1