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

Systemtic Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-propan-2-yl-4-piperidin-1-iumyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C24H40N3O3S+ MolecularWeight: 450.6577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C)C)C

InChI

InChI=1S/C24H39N3O3S/c1-16(2)26-11-9-22(10-12-26)25-24(28)21-7-13-27(14-8-21)31(29,30)23-19(5)17(3)15-18(4)20(23)6/h15-16,21-22H,7-14H2,1-6H3,(H,25,28)/p+1