2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C20H31N4O5S+ MolecularWeight: 439.54894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H30N4O5S/c1-15-12-18(24(26)27)13-19(17(15)3)30(28,29)22-10-8-21(9-11-22)14-20(25)23-7-5-4-6-16(23)2/h12-13,16H,4-11,14H2,1-3H3/p+1/t16-/m0/s1