4-methyl-3-methylsulfonyl-6-phenyl-2-piperidin-1-yl-pyridin-1-ium

Systemtic Name: 4-methyl-3-methylsulfonyl-6-phenyl-2-piperidin-1-yl-pyridin-1-ium Openeye Name: 4-methyl-3-methylsulfonyl-6-phenyl-2-(1-piperidyl)pyridin-1-ium CAS Name: 4-methyl-3-methylsulfonyl-6-phenyl-2-(1-piperidinyl)pyridin-1-ium IUPAC Name: 4-methyl-3-methylsulfonyl-6-phenyl-2-piperidin-1-ylpyridin-1-ium Traditional Name: 3-mesyl-4-methyl-6-phenyl-2-piperidino-pyridin-1-ium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1S(=O)(=O)C)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=[NH+]C(=C1S(=O)(=O)C)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2S/c1-14-13-16(15-9-5-3-6-10-15)19-18(17(14)23(2,21)22)20-11-7-4-8-12-20/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3/p+1