2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-14-12-16(15(2)20(14)3)18(24)13-21-8-10-22(11-9-21)29(27,28)19-7-5-4-6-17(19)23(25)26/h4-7,12H,8-11,13H2,1-3H3/p+1