(1-oxidanidylpyridin-1-ium-3-yl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (1-oxidopyridin-1-ium-3-yl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (1-oxido-3-pyridin-1-iumyl)methyl ester IUPAC Name: (1-oxidopyridin-1-ium-3-yl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]piperazine-1-carboxylic acid (1-oxidopyridin-1-ium-3-yl)methyl ester Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)OCC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)OCC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C23H24N6O3/c24-12-19-3-5-20(6-4-19)14-28-18-25-13-22(28)16-26-8-10-27(11-9-26)23(30)32-17-21-2-1-7-29(31)15-21/h1-7,13,15,18H,8-11,14,16-17H2