N-(4-acetamido-2-methoxy-5-oxidanyl-phenyl)-2-[4-[2-[(4-acetamido-2-methoxy-5-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-1-yl]ethanamide chloride

Systemtic Name: N-(4-acetamido-2-methoxy-5-oxidanyl-phenyl)-2-[4-[2-[(4-acetamido-2-methoxy-5-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-piperazin-4-ium-1-yl]ethanamide chloride Openeye Name: 2-[4-[2-(4-acetamido-5-hydroxy-2-methoxy-anilino)-2-oxo-ethyl]-4-methyl-piperazin-4-ium-1-yl]-N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)acetamide chloride CAS Name: 2-[4-[2-(4-acetamido-5-hydroxy-2-methoxyanilino)-2-oxoethyl]-4-methyl-1-piperazin-4-iumyl]-N-(4-acetamido-5-hydroxy-2-methoxyphenyl)acetamide chloride IUPAC Name: 2-[4-[2-(4-acetamido-5-hydroxy-2-methoxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(4-acetamido-5-hydroxy-2-methoxyphenyl)acetamide chloride Traditional Name: 2-[4-[2-(4-acetamido-5-hydroxy-2-methoxy-anilino)-2-keto-ethyl]-4-methyl-piperazin-4-ium-1-yl]-N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)acetamide chloride Formula: C27H37ClN6O8 MolecularWeight: 609.07108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)NC(=O)CN2CC[N+](CC2)(C)CC(=O)NC3=CC(=C(C=C3OC)NC(=O)C)O)O.[Cl-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)NC(=O)CN2CC[N+](CC2)(C)CC(=O)NC3=CC(=C(C=C3OC)NC(=O)C)O)O.[Cl-]

InChI

InChI=1S/C27H36N6O8.ClH/c1-16(34)28-18-12-24(40-4)20(10-22(18)36)30-26(38)14-32-6-8-33(3,9-7-32)15-27(39)31-21-11-23(37)19(29-17(2)35)13-25(21)41-5;/h10-13H,6-9,14-15H2,1-5H3,(H5-,28,29,30,31,34,35,36,37,38,39);1H