4-piperidin-1-ium-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: 4-piperidin-1-ium-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 4-(1-piperidin-1-iumyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 4-piperidin-1-ium-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)C)C

InChI

InChI=1S/C21H33N3O3S/c1-15-14-16(2)18(4)19(17(15)3)28(26,27)24-12-8-21(9-13-24,20(22)25)23-10-6-5-7-11-23/h14H,5-13H2,1-4H3,(H2,22,25)/p+1