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N-ethyl-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide
N-ethyl-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CCNC(=O)CN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2
Isomeric SMILES
CCNC(=O)CN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H30N4O4S/c1-3-21-19(25)16-23(4-2)20(26)17-22-11-13-24(14-12-22)29(27,28)15-10-18-8-6-5-7-9-18/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,21,25)/p+1/b15-10+
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