1-(4-methylphenyl)sulfonyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-1-tosyl-isonipecotamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C25H33N3O4S/c1-20-2-8-24(9-3-20)33(30,31)28-12-10-23(11-13-28)25(29)26-18-21-4-6-22(7-5-21)19-27-14-16-32-17-15-27/h2-9,23H,10-19H2,1H3,(H,26,29)/p+1