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

Systemtic Name: ethyl 4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-cyanobenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H20N3O2+ MolecularWeight: 274.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2/c1-2-20-15(19)18-9-7-17(8-10-18)12-14-5-3-13(11-16)4-6-14/h3-6H,2,7-10,12H2,1H3/p+1