2-[1-(4-methylsulfonylphenyl)-1-[3-(1-methylsulfonylpiperidin-4-yl)-3-phenyl-propyl]piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[1-(4-methylsulfonylphenyl)-1-[3-(1-methylsulfonylpiperidin-4-yl)-3-phenyl-propyl]piperidin-1-ium-4-yl]ethanamide Openeye Name: 2-[1-(4-methylsulfonylphenyl)-1-[3-(1-methylsulfonyl-4-piperidyl)-3-phenyl-propyl]piperidin-1-ium-4-yl]acetamide CAS Name: 2-[1-(4-methylsulfonylphenyl)-1-[3-(1-methylsulfonyl-4-piperidinyl)-3-phenylpropyl]-4-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(4-methylsulfonylphenyl)-1-[3-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropyl]piperidin-1-ium-4-yl]acetamide Traditional Name: 2-[1-(4-mesylphenyl)-1-[3-(1-mesyl-4-piperidyl)-3-phenyl-propyl]piperidin-1-ium-4-yl]acetamide Formula: C29H42N3O5S2+ MolecularWeight: 576.79088

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)[N+]2(CCC(CC2)CC(=O)N)CCC(C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[N+]2(CCC(CC2)CC(=O)N)CCC(C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C29H41N3O5S2/c1-38(34,35)27-10-8-26(9-11-27)32(19-14-23(15-20-32)22-29(30)33)21-16-28(24-6-4-3-5-7-24)25-12-17-31(18-13-25)39(2,36)37/h3-11,23,25,28H,12-22H2,1-2H3,(H-,30,33)/p+1