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

Systemtic Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-15-7-8-16(2)21(15)14-11-19-9-12-20(13-10-19)27(25,26)18-6-4-3-5-17(18)22(23)24/h3-8H,9-14H2,1-2H3/p+1