4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(methylsulfonylmethyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(mesylmethyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-28(26,27)17-18-9-11-19(12-10-18)22(25)23-15-20-7-3-4-8-21(20)16-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,23,25)/p+1