1-[2-(4-ethoxyphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-2-26-20-8-10-21(11-9-20)27-17-16-22-12-14-23(15-13-22)28(24,25)18-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3/p+1