1-[(3E)-2-morpholin-4-ium-4-yl-3-(phenylmethylidene)cyclopenten-1-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-[(3E)-2-morpholin-4-ium-4-yl-3-(phenylmethylidene)cyclopenten-1-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-[(3E)-3-benzylidene-2-morpholin-4-ium-4-yl-cyclopenten-1-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-[(3E)-2-(4-morpholin-4-iumyl)-3-(phenylmethylene)-1-cyclopentenyl]-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-[(3E)-3-benzylidene-2-morpholin-4-ium-4-ylcyclopenten-1-yl]-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-[(3E)-3-benzal-2-morpholin-4-ium-4-yl-cyclopenten-1-yl]methylene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C26H33N5O+2 MolecularWeight: 431.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1=CC2=CC=CC=C2)[NH+]3CCOCC3)C=NN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C\1CC(=C(/C1=C/C2=CC=CC=C2)[NH+]3CCOCC3)/C=N\N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H31N5O/c1-2-6-22(7-3-1)20-23-9-10-24(26(23)30-16-18-32-19-17-30)21-28-31-14-12-29(13-15-31)25-8-4-5-11-27-25/h1-8,11,20-21H,9-10,12-19H2/p+2/b23-20+,28-21-