ethyl 4-(3-oxidanylidene-3-phenylazanyl-propyl)piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-(3-oxidanylidene-3-phenylazanyl-propyl)piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-(3-anilino-3-oxo-propyl)piperazin-4-ium-1-carboxylate chloride CAS Name: 4-(3-anilino-3-oxopropyl)-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-(3-anilino-3-oxopropyl)piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-(3-anilino-3-keto-propyl)piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C16H24ClN3O3 MolecularWeight: 341.83306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H23N3O3.ClH/c1-2-22-16(21)19-12-10-18(11-13-19)9-8-15(20)17-14-6-4-3-5-7-14;/h3-7H,2,8-13H2,1H3,(H,17,20);1H