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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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