2-[[2-acetamido-3-oxidanylidene-3-(1-phenylpiperazin-1-ium-1-yl)propyl]sulfanylmethyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[[2-acetamido-3-oxidanylidene-3-(1-phenylpiperazin-1-ium-1-yl)propyl]sulfanylmethyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 2-[[2-acetamido-3-oxo-3-(1-phenylpiperazin-1-ium-1-yl)propyl]sulfanylmethyl]-3-oxo-cyclopentanecarboxylic acid CAS Name: 2-[[[2-acetamido-3-oxo-3-(1-phenyl-1-piperazin-1-iumyl)propyl]thio]methyl]-3-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[2-acetamido-3-oxo-3-(1-phenylpiperazin-1-ium-1-yl)propyl]sulfanylmethyl]-3-oxocyclopentane-1-carboxylic acid Traditional Name: 2-[[[2-acetamido-3-keto-3-(1-phenylpiperazin-1-ium-1-yl)propyl]thio]methyl]-3-keto-cyclopentanecarboxylic acid Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1C(CCC1=O)C(=O)O)C(=O)[N+]2(CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CSCC1C(CCC1=O)C(=O)O)C(=O)[N+]2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S/c1-15(26)24-19(14-31-13-18-17(22(29)30)7-8-20(18)27)21(28)25(11-9-23-10-12-25)16-5-3-2-4-6-16/h2-6,17-19,23H,7-14H2,1H3,(H-,24,26,29,30)/p+1