1-[(2S)-1-[4-methyl-2-[(2S)-2-piperidin-1-ium-1-ylpropyl]sulfonyl-phenyl]sulfonylpropan-2-yl]piperidin-1-ium

Systemtic Name: 1-[(2S)-1-[4-methyl-2-[(2S)-2-piperidin-1-ium-1-ylpropyl]sulfonyl-phenyl]sulfonylpropan-2-yl]piperidin-1-ium Openeye Name: 1-[(1S)-1-methyl-2-[4-methyl-2-[(2S)-2-piperidin-1-ium-1-ylpropyl]sulfonyl-phenyl]sulfonyl-ethyl]piperidin-1-ium CAS Name: 1-[(2S)-1-[4-methyl-2-[(2S)-2-(1-piperidin-1-iumyl)propyl]sulfonylphenyl]sulfonylpropan-2-yl]piperidin-1-ium IUPAC Name: 1-[(2S)-1-[4-methyl-2-[(2S)-2-piperidin-1-ium-1-ylpropyl]sulfonylphenyl]sulfonylpropan-2-yl]piperidin-1-ium Traditional Name: 1-[(1S)-1-methyl-2-[4-methyl-2-[(2S)-2-piperidin-1-ium-1-ylpropyl]sulfonyl-phenyl]sulfonyl-ethyl]piperidin-1-ium Formula: C23H40N2O4S2+2 MolecularWeight: 472.7047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)CC(C)[NH+]2CCCCC2)S(=O)(=O)CC(C)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C[C@H](C)[NH+]2CCCCC2)S(=O)(=O)C[C@H](C)[NH+]3CCCCC3

InChI

InChI=1S/C23H38N2O4S2/c1-19-10-11-22(30(26,27)17-20(2)24-12-6-4-7-13-24)23(16-19)31(28,29)18-21(3)25-14-8-5-9-15-25/h10-11,16,20-21H,4-9,12-15,17-18H2,1-3H3/p+2/t20-,21-/m0/s1