N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)isonipecotamide Formula: C24H40N3O3S+ MolecularWeight: 450.6577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C)(C)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C)(C)[NH+]3CCCCC3)C

InChI

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