1-(4-ethanoylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethanoylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[3-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)isonipecotamide Formula: C22H34N3O4S+ MolecularWeight: 436.58806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-18(26)19-6-8-21(9-7-19)30(28,29)25-16-10-20(11-17-25)22(27)23-12-5-15-24-13-3-2-4-14-24/h6-9,20H,2-5,10-17H2,1H3,(H,23,27)/p+1