1-[3-(4-methyl-3-nitro-phenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[3-(4-methyl-3-nitro-phenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[3-(4-methyl-3-nitro-phenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[3-(4-methyl-3-nitrophenyl)sulfonyl-1-imidazolidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[3-(4-methyl-3-nitro-phenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)C[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)C[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-14-5-6-15(11-16(14)21(23)24)27(25,26)20-10-9-19(13-20)17(22)12-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10,12-13H2,1H3/p+1