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

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Traditional Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C26H42N3O4S+ MolecularWeight: 492.69438

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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+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C26H41N3O4S/c1-2-33-23-9-11-24(12-10-23)34(31,32)29-19-13-22(14-20-29)25(30)27-21-26(15-5-3-6-16-26)28-17-7-4-8-18-28/h9-12,22H,2-8,13-21H2,1H3,(H,27,30)/p+1