ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[4-(2-cyanophenyl)benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O2/c1-2-26-21(25)24-13-11-23(12-14-24)16-17-7-9-18(10-8-17)20-6-4-3-5-19(20)15-22/h3-10H,2,11-14,16H2,1H3/p+1