4-[(E)-[(5E)-4-methyl-3,6-bis(oxidanylidene)-5-(phenylmethylidene)piperazin-2-ylidene]methyl]-N-[4-[2-(4-phenylpiperazin-1-ium-1-ylidene)ethyl]phenyl]benzamide

Systemtic Name: 4-[(E)-[(5E)-4-methyl-3,6-bis(oxidanylidene)-5-(phenylmethylidene)piperazin-2-ylidene]methyl]-N-[4-[2-(4-phenylpiperazin-1-ium-1-ylidene)ethyl]phenyl]benzamide Openeye Name: 4-[(E)-[(5E)-5-benzylidene-4-methyl-3,6-dioxo-piperazin-2-ylidene]methyl]-N-[4-[2-(4-phenylpiperazin-1-ium-1-ylidene)ethyl]phenyl]benzamide CAS Name: 4-[(E)-[(5E)-4-methyl-3,6-dioxo-5-(phenylmethylene)-2-piperazinylidene]methyl]-N-[4-[2-(4-phenyl-1-piperazin-1-iumylidene)ethyl]phenyl]benzamide IUPAC Name: 4-[(E)-[(5E)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-N-[4-[2-(4-phenylpiperazin-1-ium-1-ylidene)ethyl]phenyl]benzamide Traditional Name: 4-[(E)-[(5E)-5-benzal-3,6-diketo-4-methyl-piperazin-2-ylidene]methyl]-N-[4-[2-(4-phenylpiperazin-1-ium-1-ylidene)ethyl]phenyl]benzamide Formula: C38H36N5O3+ MolecularWeight: 610.72414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2)C(=O)NC(=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CC=[N+]5CCN(CC5)C6=CC=CC=C6)C1=O

Isomeric SMILES

CN1/C(=C/C2=CC=CC=C2)/C(=O)N/C(=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CC=[N+]5CCN(CC5)C6=CC=CC=C6)/C1=O

InChI

InChI=1S/C38H35N5O3/c1-41-35(27-29-8-4-2-5-9-29)37(45)40-34(38(41)46)26-30-12-16-31(17-13-30)36(44)39-32-18-14-28(15-19-32)20-21-42-22-24-43(25-23-42)33-10-6-3-7-11-33/h2-19,21,26-27H,20,22-25H2,1H3,(H-,39,40,44,45)/p+1/b35-27+