4-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide

Systemtic Name: 4-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide Openeye Name: 4-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide CAS Name: 4-methylsulfonyl-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]benzamide IUPAC Name: 4-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide Traditional Name: 4-mesyl-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]benzamide Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C26H28N2O3S/c1-32(30,31)24-14-12-22(13-15-24)26(29)27-18-23-6-2-3-7-25(23)21-10-8-20(9-11-21)19-28-16-4-5-17-28/h2-3,6-15H,4-5,16-19H2,1H3,(H,27,29)/p+1