1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(1-methyl-2-pyrrolyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-mesyl-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C11H20N3O2S+ MolecularWeight: 258.3604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C11H19N3O2S/c1-12-5-3-4-11(12)10-13-6-8-14(9-7-13)17(2,15)16/h3-5H,6-10H2,1-2H3/p+1