1-[2-(4-methoxyphenoxy)ethyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C22H32N4O4S+2 MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H30N4O4S/c1-29-19-4-6-20(7-5-19)30-17-16-24-12-14-25(15-13-24)22-9-8-21(18-23-22)31(27,28)26-10-2-3-11-26/h4-9,18H,2-3,10-17H2,1H3/p+2