N-[4-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(1-benzylpiperidin-1-ium-4-yl)piperazino]sulfonylphenyl]acetamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-20(29)25-22-7-9-24(10-8-22)32(30,31)28-17-15-27(16-18-28)23-11-13-26(14-12-23)19-21-5-3-2-4-6-21/h2-10,23H,11-19H2,1H3,(H,25,29)/p+1