N-(2,5-dimethylphenyl)-2-[methyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[methyl-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[methyl-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-16-7-8-17(2)19(13-16)23-21(26)15-24(3)20-10-9-18(14-22-20)29(27,28)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,26)/p+1