[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C23H32N3O5S2+ MolecularWeight: 494.64728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N3O5S2/c1-30-20-6-8-21(9-7-20)31-16-15-24-11-13-25(14-12-24)23(27)19-4-2-10-26(18-19)33(28,29)22-5-3-17-32-22/h3,5-9,17,19H,2,4,10-16,18H2,1H3/p+1/t19-/m0/s1