3-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-methylsulfonyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-mesyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-27(25,26)20-11-7-10-17(14-20)21(24)22-15-18-8-3-4-9-19(18)16-23-12-5-2-6-13-23/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,22,24)/p+1