(3-methylsulfonylphenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone

Systemtic Name: (3-methylsulfonylphenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Openeye Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: (3-methylsulfonylphenyl)-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methanone IUPAC Name: (3-methylsulfonylphenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Traditional Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-(3-mesylphenyl)methanone Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H18N2O3S/c1-12(2)17-15-9-4-5-10-18(15)16(19)13-7-6-8-14(11-13)22(3,20)21/h4-12H,1-3H3/p+1