1-[(3-methoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-m-anisyl-4-mesyl-piperazin-1-ium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H20N2O3S/c1-18-13-5-3-4-12(10-13)11-14-6-8-15(9-7-14)19(2,16)17/h3-5,10H,6-9,11H2,1-2H3/p+1