2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-p-phenetyl-ethanone Formula: C21H26ClN2O5S+ MolecularWeight: 453.95954

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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=C(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-3-29-18-7-4-16(5-8-18)19(25)15-23-10-12-24(13-11-23)30(26,27)21-14-17(22)6-9-20(21)28-2/h4-9,14H,3,10-13,15H2,1-2H3/p+1