4-chloranyl-3-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-chloranyl-3-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-chloro-3-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-chloro-3-methylsulfonyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-chloro-3-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-chloro-3-mesyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H26ClN2O3S+ MolecularWeight: 421.96074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-28(26,27)20-13-18(9-10-19(20)22)21(25)23-14-16-5-7-17(8-6-16)15-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,25)/p+1