(2R)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-phenyl-propionamide Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O/c1-17(21(26)23-20-5-3-2-4-6-20)25-13-11-24(12-14-25)16-19-9-7-18(15-22)8-10-19/h2-10,17H,11-14,16H2,1H3,(H,23,26)/p+2/t17-/m1/s1