[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [2-(cyclohexylamino)-4-methyl-1-pyridin-1-iumyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [2-(cyclohexylamino)-4-methylpyridin-1-ium-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: [2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]-(3-mesylphenyl)methanone Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)C)NC3CCCCC3

Isomeric SMILES

CC1=CC(=[N+](C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)C)NC3CCCCC3

InChI

InChI=1S/C20H24N2O3S/c1-15-11-12-22(19(13-15)21-17-8-4-3-5-9-17)20(23)16-7-6-10-18(14-16)26(2,24)25/h6-7,10-14,17H,3-5,8-9H2,1-2H3/p+1