N-(4-acetamido-3-oxidanyl-phenyl)-2-[4-[2-[(4-acetamido-3-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamido-3-oxidanyl-phenyl)-2-[4-[2-[(4-acetamido-3-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(4-acetamido-3-hydroxy-anilino)-2-oxo-ethyl]-4-methyl-piperazin-4-ium-1-yl]-N-(4-acetamido-3-hydroxy-phenyl)acetamide CAS Name: 2-[4-[2-(4-acetamido-3-hydroxyanilino)-2-oxoethyl]-4-methyl-1-piperazin-4-iumyl]-N-(4-acetamido-3-hydroxyphenyl)acetamide IUPAC Name: 2-[4-[2-(4-acetamido-3-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(4-acetamido-3-hydroxyphenyl)acetamide Traditional Name: 2-[4-[2-(4-acetamido-3-hydroxy-anilino)-2-keto-ethyl]-4-methyl-piperazin-4-ium-1-yl]-N-(4-acetamido-3-hydroxy-phenyl)acetamide Formula: C25H33N6O6+ MolecularWeight: 513.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2CC[N+](CC2)(C)CC(=O)NC3=CC(=C(C=C3)NC(=O)C)O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2CC[N+](CC2)(C)CC(=O)NC3=CC(=C(C=C3)NC(=O)C)O)O

InChI

InChI=1S/C25H32N6O6/c1-16(32)26-20-6-4-18(12-22(20)34)28-24(36)14-30-8-10-31(3,11-9-30)15-25(37)29-19-5-7-21(23(35)13-19)27-17(2)33/h4-7,12-13H,8-11,14-15H2,1-3H3,(H5-,26,27,28,29,32,33,34,35,36,37)/p+1