1-(4-ethoxyphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[3-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: N-(3-piperidin-1-ium-1-ylpropyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C22H35N3O4S/c1-2-29-20-7-9-21(10-8-20)30(27,28)25-17-11-19(12-18-25)22(26)23-13-6-16-24-14-4-3-5-15-24/h7-10,19H,2-6,11-18H2,1H3,(H,23,26)/p+1