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

Systemtic Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H25N3O2S/c1-16-8-9-17(2)21(16)15-12-19-10-13-20(14-11-19)24(22,23)18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3/p+1