1-(4-ethoxyphenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C25H40N3O5S+ MolecularWeight: 494.6672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C25H39N3O5S/c1-2-33-22-6-8-23(9-7-22)34(30,31)28-14-10-21(11-15-28)24(29)26-20-25(12-4-3-5-13-25)27-16-18-32-19-17-27/h6-9,21H,2-5,10-20H2,1H3,(H,26,29)/p+1