ethyl 4-[[4-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-[[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-[[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methoxy]phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[4-[[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methoxy]benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C24H34N3O5S2+ MolecularWeight: 508.67386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OCC3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H33N3O5S2/c1-2-31-24(28)26-14-12-25(13-15-26)17-20-7-9-22(10-8-20)32-19-21-5-3-11-27(18-21)34(29,30)23-6-4-16-33-23/h4,6-10,16,21H,2-3,5,11-15,17-19H2,1H3/p+1/t21-/m0/s1