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

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H33N3O3S/c29-25(26-19-22-7-1-2-8-23(22)20-27-15-3-4-16-27)14-11-21-9-12-24(13-10-21)32(30,31)28-17-5-6-18-28/h1-2,7-10,12-13H,3-6,11,14-20H2,(H,26,29)/p+1