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

Systemtic Name: 3-(phenylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(benzenesulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-besyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c24-21(12-15-27(25,26)20-10-2-1-3-11-20)22-16-18-8-4-5-9-19(18)17-23-13-6-7-14-23/h1-5,8-11H,6-7,12-17H2,(H,22,24)/p+1