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

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C23H38N3O3S+ MolecularWeight: 436.63112

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

InChI

InChI=1S/C23H37N3O3S/c1-6-25-11-9-21(10-12-25)24-23(27)20-7-13-26(14-8-20)30(28,29)22-18(4)16(2)15-17(3)19(22)5/h15,20-21H,6-14H2,1-5H3,(H,24,27)/p+1