ethyl 4-[3-oxidanylidene-3-[(2-phenylphenyl)amino]propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-oxidanylidene-3-[(2-phenylphenyl)amino]propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-oxo-3-(2-phenylanilino)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-oxo-3-(2-phenylanilino)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-3-(2-phenylanilino)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-(2-phenylanilino)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-2-28-22(27)25-16-14-24(15-17-25)13-12-21(26)23-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,23,26)/p+1