1-[3-(4-methoxyphenoxy)propyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[3-(4-methoxyphenoxy)propyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[3-(4-methoxyphenoxy)propyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[3-(4-methoxyphenoxy)propyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[3-(4-methoxyphenoxy)propyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[3-(4-methoxyphenoxy)propyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O5S/c1-26-18-4-6-20(7-5-18)28-17-3-12-22-13-15-23(16-14-22)29(24,25)21-10-8-19(27-2)9-11-21/h4-11H,3,12-17H2,1-2H3/p+1