tert-butyl 1-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-methyl-phenyl]carbamoyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-methyl-phenyl]carbamoyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[[2-[(5-chloro-2-pyridyl)carbamoyl]-4-methyl-phenyl]carbamoyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-methylanilino]-oxomethyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[2-[(5-chloropyridin-2-yl)carbamoyl]-4-methylphenyl]carbamoyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[[2-[(5-chloro-2-pyridyl)carbamoyl]-4-methyl-phenyl]carbamoyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C23H29ClN5O4+ MolecularWeight: 474.96046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)[N+]2(CCNCC2)C(=O)OC(C)(C)C)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[N+]2(CCNCC2)C(=O)OC(C)(C)C)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN5O4/c1-15-5-7-18(17(13-15)20(30)28-19-8-6-16(24)14-26-19)27-21(31)29(11-9-25-10-12-29)22(32)33-23(2,3)4/h5-8,13-14,25H,9-12H2,1-4H3,(H-,26,27,28,30,31)/p+1