3-(4-methylphenyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(p-tolylsulfonyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3-tosyl-propionamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O3S/c1-18-4-10-21(11-5-18)28(26,27)15-12-22(25)23-16-19-6-8-20(9-7-19)17-24-13-2-3-14-24/h4-11H,2-3,12-17H2,1H3,(H,23,25)/p+1