1-(4-cyanophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)isonipecotamide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3

InChI

InChI=1S/C21H30N4O4S/c1-21(2,24-11-13-29-14-12-24)16-23-20(26)18-7-9-25(10-8-18)30(27,28)19-5-3-17(15-22)4-6-19/h3-6,18H,7-14,16H2,1-2H3,(H,23,26)/p+1