3-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-1-ium-3-ylmethyl)propanamide

Systemtic Name: 3-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-1-ium-3-ylmethyl)propanamide Openeye Name: 3-(p-tolylmethylsulfonyl)-N-(pyridin-1-ium-3-ylmethyl)propanamide CAS Name: 3-[(4-methylphenyl)methylsulfonyl]-N-(3-pyridin-1-iumylmethyl)propanamide IUPAC Name: 3-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-1-ium-3-ylmethyl)propanamide Traditional Name: 3-(4-methylbenzyl)sulfonyl-N-(pyridin-1-ium-3-ylmethyl)propionamide Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=C[NH+]=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-14-4-6-15(7-5-14)13-23(21,22)10-8-17(20)19-12-16-3-2-9-18-11-16/h2-7,9,11H,8,10,12-13H2,1H3,(H,19,20)/p+1