3-(4-piperidin-1-ylsulfonylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-piperidin-1-ylsulfonylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-[4-(1-piperidylsulfonyl)phenyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-piperidin-1-ylsulfonylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-piperidinosulfonylphenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C26H36N3O3S+ MolecularWeight: 470.64734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C26H35N3O3S/c30-26(27-20-23-8-2-3-9-24(23)21-28-16-6-7-17-28)15-12-22-10-13-25(14-11-22)33(31,32)29-18-4-1-5-19-29/h2-3,8-11,13-14H,1,4-7,12,15-21H2,(H,27,30)/p+1