ethyl 4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(2-anilino-2-oxo-ethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(2-anilino-2-oxoethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-anilino-2-oxoethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-anilino-2-keto-ethyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C15H21N3O3/c1-2-21-15(20)18-10-8-17(9-11-18)12-14(19)16-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,16,19)/p+1