N-(4-acetamidophenyl)-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[ethyl-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]acetamide CAS Name: N-(4-acetamidophenyl)-2-[ethyl-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[ethyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[ethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N5O4S/c1-3-26(16-22(29)25-19-9-7-18(8-10-19)24-17(2)28)21-12-11-20(15-23-21)32(30,31)27-13-5-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)(H,25,29)/p+1