1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide CAS Name: 1-[4-(methylthio)phenyl]sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)isonipecotamide Formula: C19H30N3O4S2+ MolecularWeight: 428.5892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H29N3O4S2/c1-27-17-2-4-18(5-3-17)28(24,25)22-9-6-16(7-10-22)19(23)20-8-11-21-12-14-26-15-13-21/h2-5,16H,6-15H2,1H3,(H,20,23)/p+1