1-ethyl-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-ethyl-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-ethyl-4-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-ethyl-4-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-ethyl-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazin-1-ium Traditional Name: 1-ethyl-4-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]sulfonyl-piperazin-1-ium Formula: C18H30N3O4S2+ MolecularWeight: 416.5785

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC[C@@H]3C

InChI

InChI=1S/C18H29N3O4S2/c1-3-19-12-14-20(15-13-19)26(22,23)17-7-9-18(10-8-17)27(24,25)21-11-5-4-6-16(21)2/h7-10,16H,3-6,11-15H2,1-2H3/p+1/t16-/m0/s1