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1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperidin-1-ium

1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperidin-1-ium

Systemtic Name:1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperidin-1-ium
Openeye Name:4-(benzenesulfonyl)-1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
CAS Name:4-(benzenesulfonyl)-1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
IUPAC Name:4-(benzenesulfonyl)-1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
Traditional Name:4-besyl-1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
Formula: C21H28NO3S+
MolecularWeight: 374.51692
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2(CCC(CC2)S(=O)(=O)C3=CC=CC=C3)C


Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2(CCC(CC2)S(=O)(=O)C3=CC=CC=C3)C


InChI

InChI=1S/C21H28NO3S/c1-18-7-6-8-19(17-18)25-16-15-22(2)13-11-21(12-14-22)26(23,24)20-9-4-3-5-10-20/h3-10,17,21H,11-16H2,1-2H3/q+1


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