1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C26H34N3O5S+ MolecularWeight: 500.63026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H33N3O5S/c30-26(27-18-21-5-1-2-6-22(21)19-28-11-3-4-12-28)20-9-13-29(14-10-20)35(31,32)23-7-8-24-25(17-23)34-16-15-33-24/h1-2,5-8,17,20H,3-4,9-16,18-19H2,(H,27,30)/p+1