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

Systemtic Name: N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-(3-phenyl-1-piperazin-2-yl-propyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-(3-phenyl-1-piperazin-2-yl-propyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[3-phenyl-1-(2-piperazinyl)propyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-(3-phenyl-1-piperazin-2-ylpropyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-ethyl-2-(4-mesylphenyl)-N-[1-(3-phenyl-1-piperazin-2-yl-propyl)piperidin-1-ium-1-yl]acetamide Formula: C29H43N4O3S+ MolecularWeight: 527.74172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)[N+]2(CCCCC2)C(CCC3=CC=CC=C3)C4CNCCN4

Isomeric SMILES

CCN(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)[N+]2(CCCCC2)C(CCC3=CC=CC=C3)C4CNCCN4

InChI

InChI=1S/C29H43N4O3S/c1-3-32(29(34)22-25-12-15-26(16-13-25)37(2,35)36)33(20-8-5-9-21-33)28(27-23-30-18-19-31-27)17-14-24-10-6-4-7-11-24/h4,6-7,10-13,15-16,27-28,30-31H,3,5,8-9,14,17-23H2,1-2H3/q+1