4-(2-azanyl-2-oxidanylidene-ethyl)-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-N-(4-chlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-N-(4-chlorophenyl)piperazin-4-ium-1-carboxamide Formula: C13H18ClN4O2+ MolecularWeight: 297.76062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN4O2/c14-10-1-3-11(4-2-10)16-13(20)18-7-5-17(6-8-18)9-12(15)19/h1-4H,5-9H2,(H2,15,19)(H,16,20)/p+1