tert-butyl 1-[[(5-chloranylpyridin-2-yl)-(3-methylphenyl)carbonyl-amino]carbamoyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[[(5-chloranylpyridin-2-yl)-(3-methylphenyl)carbonyl-amino]carbamoyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[[(5-chloro-2-pyridyl)-(3-methylbenzoyl)amino]carbamoyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[[2-(5-chloro-2-pyridinyl)-2-[(3-methylphenyl)-oxomethyl]hydrazinyl]-oxomethyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[(5-chloropyridin-2-yl)-(3-methylbenzoyl)amino]carbamoyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[[(5-chloro-2-pyridyl)-m-toluoyl-amino]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=CC(=C1)C(=O)N(C2=NC=C(C=C2)Cl)NC(=O)[N+]3(CCNCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(C2=NC=C(C=C2)Cl)NC(=O)[N+]3(CCNCC3)C(=O)OC(C)(C)C

InChI

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