1-(3,4-dimethylphenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)isonipecotamide Formula: C23H38N3O3S+ MolecularWeight: 436.63112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O3S/c1-18-8-9-21(16-19(18)2)30(28,29)26-14-10-20(11-15-26)22(27)24-17-23(3,4)25-12-6-5-7-13-25/h8-9,16,20H,5-7,10-15,17H2,1-4H3,(H,24,27)/p+1