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

Systemtic Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propionamide Formula: C23H30N4O+2 MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O/c1-3-27(22-7-5-4-6-8-22)23(28)19(2)26-15-13-25(14-16-26)18-21-11-9-20(17-24)10-12-21/h4-12,19H,3,13-16,18H2,1-2H3/p+2/t19-/m0/s1