tert-butyl 3-aminocarbonyl-4-[4-azanyl-2,6-bis(chloranyl)phenyl]-4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 3-aminocarbonyl-4-[4-azanyl-2,6-bis(chloranyl)phenyl]-4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(4-amino-2,6-dichloro-phenyl)-4-(2-amino-2-oxo-ethyl)-3-carbamoyl-piperazin-4-ium-1-carboxylate CAS Name: 4-(4-amino-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-3-carbamoyl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-amino-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-3-carbamoylpiperazin-4-ium-1-carboxylate Traditional Name: 4-(4-amino-2,6-dichloro-phenyl)-4-(2-amino-2-keto-ethyl)-3-carbamoyl-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H26Cl2N5O4+ MolecularWeight: 447.33614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](C(C1)C(=O)N)(CC(=O)N)C2=C(C=C(C=C2Cl)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](C(C1)C(=O)N)(CC(=O)N)C2=C(C=C(C=C2Cl)N)Cl

InChI

InChI=1S/C18H25Cl2N5O4/c1-18(2,3)29-17(28)24-4-5-25(9-14(22)26,13(8-24)16(23)27)15-11(19)6-10(21)7-12(15)20/h6-7,13H,4-5,8-9,21H2,1-3H3,(H3-,22,23,26,27)/p+1