N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H26N4O3S/c1-15-7-6-8-16(2)20(15)23-19(25)14-22-18-10-9-17(13-21-18)28(26,27)24-11-4-3-5-12-24/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,21,22)(H,23,25)/p+1