1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-tosyl-piperazin-1-ium Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=CC=C3C)C

InChI

InChI=1S/C19H27N3O2S/c1-16-4-8-19(9-5-16)25(23,24)21-13-10-20(11-14-21)12-15-22-17(2)6-7-18(22)3/h4-9H,10-15H2,1-3H3/p+1