2-methyl-5-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methyl-5-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methyl-5-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methyl-5-methylsulfonyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methyl-5-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 5-mesyl-2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-17-6-11-20(28(2,26)27)14-21(17)22(25)23-15-18-7-9-19(10-8-18)16-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25)/p+1