4-(2-azanyl-2-oxidanylidene-ethyl)-4-[2,6-bis(chloranyl)-4-cyano-phenyl]piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-[2,6-bis(chloranyl)-4-cyano-phenyl]piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(2,6-dichloro-4-cyano-phenyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dichloro-4-cyanophenyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dichloro-4-cyanophenyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(2,6-dichloro-4-cyano-phenyl)piperazin-4-ium-2-carboxamide Formula: C14H16Cl2N5O2+ MolecularWeight: 357.21514

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(N1)C(=O)N)(CC(=O)N)C2=C(C=C(C=C2Cl)C#N)Cl

Isomeric SMILES

C1C[N+](CC(N1)C(=O)N)(CC(=O)N)C2=C(C=C(C=C2Cl)C#N)Cl

InChI

InChI=1S/C14H15Cl2N5O2/c15-9-3-8(5-17)4-10(16)13(9)21(7-12(18)22)2-1-20-11(6-21)14(19)23/h3-4,11,20H,1-2,6-7H2,(H3-,18,19,22,23)/p+1